苄氧基羰基-l-脯氨酸-4-硝基苯酯

苄氧基羰基-l-脯氨酸-4-硝基苯酯 基本信息
CAS号 3304-59-4 分子式 C19H18N2O6
分子量 370.35600 精确质量 　370.11600
PSA 　101.66000 LogP 　3.76250
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目录
基本信息 物化性质 合成路线 毒性 MSDS 上下游

基本信息 展开↓

CAS号：
3304-59-4
3D弹球模型：
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分子式：
C19H18N2O6
分子量：
370.35600
中文名称：
苄氧基羰基-l-脯氨酸-4-硝基苯酯
英文名称：
Z-PRO-ONP
中文别名：
苄氧基羰基-l-脯氨酸-4-硝基苯酯;
N5-benzyloxycarbonyl-L-ornithine;
H-Orn(Z)-OH;
N-d-CBZ-L-Ornithine;
N-5-BENZYLOXYCARBONYL-L-ORNITHINE;
N~5~-[(benzyloxy)carbonyl]ornithine;
(2S)-2-ammonio-5-{[(benzyloxy)carbonyl]amino}pentanoate;
N'-Cbz-L-Ornithine;
N-delta-cbz-L-ornithine;
Boc-ß
-Ala-OH;
N-tert-Butoxycarbonyl-beta-alanine
英文别名：
Z-PRO-ONP;
benzyloxycarbonyl-L-proline p-nitrophenyl ester;
CARBOBENZYLOXY-L-PROLINE 4-NITROPHENYL ESTER;
P-NITROPHENYLCARBOBENZOXY-L-PROLINE;
N-CARBOBENZOXY-L-PROLINE-P-NITROPHENYL ESTER;
Z-L-PROLINE 4-NITROPHENYL ESTER;
carbobenzyloxy-l-prolinep-nitrophenylester;
carbobenzyloxy-l-prolinp-nitrophenylester;
Z-PROLINE-ONP;
N-CBZ-L-PROLINE P-NITROPHENYL ESTER;
Z-L-PROLINE NITROPHENYL ESTER;
Z-L-Pro-ONp;
N-carbobenzoxy-DL-proline p-nitrophenyl ester;
N-benzyloxycarbonyl-L-proline p-nitrophenyl ester;
(S)-1-Benzyl 2-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate
精确分子量/精确质量：
370.11600
极性分子表面积/PSA：
101.66000
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。
EINECS：
221-981-3
InChI：
InChI=1/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1

物化性质展开↓

外观与性状：
白色至略黄色结晶粉末
密度：
1.356 g/cm3
沸点：
541.7ºC at 760 mmHg
闪点：
281.4ºC
折射率：
1.611

合成路线查看所有的合成路线

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    苄氧基羰基-l-脯氨酸-4-硝基苯酯

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    苄氧基羰基-l-脯氨酸-4-硝基苯酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY0750000
CHEMICAL NAME :
1,2-Pyrrolidinedicarboxylic acid, 1-benzyl p-nitrophenyl ester, L-
CAS REGISTRY NUMBER :
3304-59-4
BEILSTEIN REFERENCE NO. :
0056776
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H18-N2-O6
MOLECULAR WEIGHT :
370.39
WISWESSER LINE NOTATION :
T5KTJ AVO A1R& BVOR DNW -L

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02163

MSDS 展开↓

    Version 1.2
    Regulation (EC) No 1907/2006
    1 - Product and Company Information
    Product Name        N-CBZ-L-PROLINE P-NITROPHENYL ESTER    
    CRYSTALLINE
    2 - Hazards Identification
    3 - Composition/Information on Ingredients
    Product Name        CAS #        EC no        Annex I    
    Index Number
    N-CBZ-L-PROLINE P-NITROPHENYL        3304-59-4 221-981-3 None    
    ESTERCRYSTALLINE
    Formula        C19H18N2O6    
    Molecular Weight 370,4000 AMU
    Synonyms        1-Benzyl p-nitrophenyl    
    L-1,2-pyrrolidinedicarboxylate *
    Carbobenzyloxy-L-proline p-nitrophenyl ester *
    L-Proline, carbobenzyloxy-, p-nitrophenyl ester
    4 - First Aid Measures
    AFTER INHALATION
    If inhaled, remove to fresh air. If breathing becomes difficult,
    call a physician.
    AFTER SKIN CONTACT
    In case of skin contact, flush with copious amounts of water for
    at least 15 minutes. Remove contaminated clothing and shoes.
    Call a physician.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    SIGMA        www.molbase.com    
    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 protective equipment.
    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
    STORAGE
    Store at 2-8°C
    8 - Exposure Controls / Personal Protection
    ENGINEERING CONTROLS
    Mechanical exhaust required.
    PERSONAL PROTECTIVE EQUIPMENT
    Special Protective Measures: Wear appropriate government approved
    respirator, chemical-resistant gloves, safety goggles, other
    protective clothing.
    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    
    SIGMA        www.molbase.com    
    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.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur
    11 - Toxicological Information
    RTECS NUMBER: UY0750000
    ACUTE TOXICITY
    LD50
    Intravenous
    Mouse
    320 MG/KG
    ROUTE OF EXPOSURE
    Multiple Routes: May cause irritation. May be harmful by
    inhalation, ingestion, or skin absorption.
    CONDITIONS AGGRAVATED BY EXPOSURE
    The toxicological properties have not been thoroughly
    investigated.
    12 - Ecological Information
    No data available.
    13 - Disposal Considerations
    SUBSTANCE DISPOSAL
    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.
    SIGMA        www.molbase.com    
    IATA
    Non-hazardous for air transport.
    15 - Regulatory Information
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    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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