2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid

2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid 基本信息
CAS号 20751-90-0 分子式 C6H17N2O3PS
分子量 228.25000 精确质量  228.07000
PSA  116.70000 LogP  0.79320

基本信息 展开↓

CAS号:
20751-90-0
3D弹球模型:
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分子式:
C6H17N2O3PS
分子量:
228.25000
中文名称:
2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid
英文名称:
2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid
中文别名:
2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid
英文别名:
2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid;
Ethanethiol,2-((3-(methylamino)propyl)amino)-,dihydrogen phosphate (ester);
s-(2-{[3-(methylamino)propyl]amino}ethyl) dihydrogen phosphorothioate;
Phosphonol;
Phosphorothioic acid,S-(2-((3-(methylamino)propyl)amino)ethyl) ester;
WR 3689;
S-[2-(3-methylaminopropyl)aminoethyl]phosphorothioate;
2-((3-(Methylamino)propyl)amino)ethanethiol dihydrogen phosphate (ester)
精确分子量/精确质量:
228.07000
极性分子表面积/PSA:
116.70000
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: ZGSGBCBFJJASJA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.279g/cm3
沸点:
429ºC at 760 mmHg
闪点:
213.3ºC
折射率:
1.528
蒸汽压:
1.46E-08mmHg at 25°C

安全信息展开↓

海关代码:
2922499990

合成路线查看所有的合成路线

  • 13621-76-6

    dibromohydrate du N-(bromoethyl-2)N'-(methyl)diamino-1,3 propane

  • ~85%

  • 20751-90-0

    2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid

  • 69506-93-0

    2-hydroxyethyl N-(3-hydroxypropyl)carbamate

  • 20751-90-0

    2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid

  • 96220-31-4

    96220-31-4

  • 20751-90-0

    2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KJ2115000
CHEMICAL NAME :
Ethanethiol, 2-((3-(methylamino)propyl)amino)-, dihydrogen phosphate (ester)
CAS REGISTRY NUMBER :
20751-90-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H17-N2-O3-P-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
PAACA3 Proceedings of the American Association for Cancer Research. (Waverly Press, 428 E. Preston St., Baltimore, MD 21202) V.1- 1954- Volume(issue)/page/year: 31,433,1990

海关数据查看详细

中国海关编码:2922499990

概述:
2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

上下游相关产品

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  • 13621-76-6

    dibromohydrate du N-(bromoethyl-2)N'-(methyl)diamino-1,3 propane

  • 13621-75-5

    N,4-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide

  • 96220-31-4

    N/A

  • 69506-93-0

    2-hydroxyethyl N-(3-hydroxypropyl)carbamate

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