3-吡啶乙醛腺嘌呤二核苷酸

3-吡啶乙醛腺嘌呤二核苷酸 基本信息
CAS号 86-07-7 分子式 C21H26N6O14P2
分子量 648.41436 精确质量  648.09823
PSA  311.86000 LogP  -1.72110

基本信息 展开↓

CAS号:
86-07-7
3D弹球模型:
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分子式:
C21H26N6O14P2
分子量:
648.41436
中文名称:
3-吡啶乙醛腺嘌呤二核苷酸
英文名称:
Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-formyl-1-β-D-ribofuranosylpyridinium, inner salt
中文别名:
3-吡啶乙醛腺嘌呤二核苷酸
英文别名:
Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-formyl-1-β-D-ribofuranosylpyridinium, inner salt;
3-Formyl-1-β-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-diphosphate, inner salt (6CI);
3-Formyl-1-β-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt (7CI);
Pyridinium, 3-formyl-1-β-D-ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt (8CI);
Adenosine 5'-(trihydrogen pyrophosphate), 5'→5'-ester with 3-formyl-1-β-D-ribofuranosylpyridinium hydroxide, inner salt (8CI);
3-Formylpyridine-adenine dinucleotide;
3-Pyridinealdehyde adenine dinucleotide;
3-Pyridinealdehyde-NAD;
3-Pyridinecarboxaldehyde adenine dinucleotide;
Adenine-nicotinaldehyde dinucleotide;
Diphosphopyridine nucleotide, 3-pyridinecarboxaldehyde analog;
NSC 20270;
Nicotinaldehyde-adenine dinucleotide;
Pyridine-3-aldehyde diphosphopyridine nucleotide
精确分子量/精确质量:
648.09823
极性分子表面积/PSA:
311.86000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: SZBYQPGZRAWXKJ-PLEFRAQWSA-N

物化性质展开↓

密度:
1.345g/cm3
沸点:
852.1ºC at 760 mmHg
闪点:
469.2ºC
折射率:
1.562

安全信息展开↓

危险类别码:
36/37/38
安全说明:
26-36

合成路线查看所有的合成路线

  • 500-22-1

    3-吡啶甲醛

  • +

  • 865-05-4

    β-NADP+

  • 86-07-7

    3-吡啶乙醛腺嘌呤二核苷酸

MSDS 展开↓

    Version 1.3
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        3-PYRIDINEALDEHYDE ADENINE DINUCLEOTIDE    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Not hazardous according to Directive 67/548/EEC.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    3-PYRIDINEALDEHYDE ADENINE        86-07-7        None        None    
    DINUCLEOTIDE
    Ingredient Name        Percent CAS #        EC no        Annex I    
    Index Number
    THE FOLLOWING SUBSTANCES        None        None        None    
    ARE PRESENT AS RESIDUAL
    COMPONENTS OF PRODUCTION.
    ACETONE        <= 4        67-64-1        200-662-2 606-001-00-8    
    Symbols: F-Xi
    R-Phrases: 11-36-66-67
    Highly flammable. Irritating to eyes. Repeated exposure may cause
    skin dryness or cracking. Vapors may cause drowsiness and
    dizziness.
    Formula        C21H26N6O14P2    
    Molecular Weight 648,4000 AMU

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    SIGMA        www.molbase.com    
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

    6 - Accidental Release Measures

    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear respirator, chemical safety goggles, rubber boots, and
    heavy rubber gloves.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe dust. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.
    Store at -20°C

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Where risk assessment shows air-purifying respirators
    are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
    respirator.
    Hand Protection: Compatible chemical-resistant gloves.
    SIGMA        www.molbase.com    
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Solid    
    Property        Value        At Temperature or Pressure    
    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides, Phosphorous oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: Causes skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: Causes eye irritation.
    Inhalation: May be harmful if inhaled. Material is irritating to
    mucous membranes and upper respiratory tract.
    Ingestion: May be harmful if swallowed.
    TARGET ORGAN INFORMATION
    SIGMA        www.molbase.com    
    Liver. Kidneys.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Dissolve or mix the material with a combustible
    solvent and burn in a chemical incinerator equipped with an
    afterburner and scrubber. Observe all federal, state, and local
    environmental regulations.

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    15 - Regulatory Information

    Not hazardous according to Directive 67/548/EEC.
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 1
    Self-Classification

    16 - Other Information

    WARRANTY
    The above information is believed to be correct but does not
    purport to be all inclusive and shall be used only as a guide. The
    information in this document is based on the present state of our
    knowledge and is applicable to the product with regard to
    appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    SIGMA        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

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