2-[(2-aminoethyl)disulfanyl]ethan-1-amine dihydrochloride

• ChemBase编号: 51098
• 分子式: C4H14Cl2N2S2
• 平均质量: 225.20336
• 单一同位素质量: 223.99754582
• SMILES: S(SCCN)CCN.Cl.Cl
• Canonical SMILES: NCCSSCCN.Cl.Cl
• InChI: InChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H
• InChIKey: YUFRRMZSSPQMOS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2-aminoethyl)disulfanyl]ethan-1-amine dihydrochloride
• IUPAC传统名: cystamine dihydrochloride
• 别名: 胱胺二盐酸盐; 2,2ˊ-二乙氨基二硫 二盐酸盐; 2,2ˊ-二硫代二乙胺 二盐酸盐; 脱羧胱氨酸 二盐酸盐; 胱胺 二盐酸盐; Bis(2-aminoethyl) disulfide dihydrochloride; bis(2-AMINOETHYL)DISULFIDE DIHYDROCHLORIDE; CYSTAMINE DIHYDROCHLORIDE; 2,2-DITHIOBIS(ETHYLAMINE) DIHYDROCHLORIDE; 2,2'-disulfanediyldiethanamine dihydrochloride; 2-Aminoethyl Dislufide Dihydrochloride; 2,2'-Dithiobis(Ethylamine)Dihydrochloride; 2,2'-Diaminodiethyl disulfide dihydrochloride; Decarboxycystine dihydrochloride; CYSTAMINE DIHYDROCHLORIDE; Cystamine dihydrochloride; 2,2′-Diaminodiethyl disulfide dihydrochloride; 2,2′-Dithiobis(ethylamine) dihydrochloride; {2-[(2-Aminoethyl)disulfanyl]ethyl}amine dihydrochloride

登记号

• CAS号: 56-17-7
• EC号: 200-260-7
• MDL号: MFCD00012905
• Beilstein号: 3616850
• 默克索引号: 142776
• PubChem SID: 24892384; 162055861; 24893096; 24858097
• PubChem CID: 5941

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -6.7485113
• LogD (pH = 7.4): -5.050597
• Log P: -0.75276333
• 摩尔折射率: 43.212 cm^3
• 极化性: 17.318829 Å^3
• 极化表面积: 52.04 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 M, clear, colorless to light yellow; H2O: soluble1.0 g/10 mL, clear to almost clear, colorless to almost colorless (<5.5 NTU)
• 熔点: ~220 °C (dec.); 215-225 °C (dec.); 217-220 °C (dec.)(lit.); 217-220°C (Decomposes); 217-220°C

安全信息

• 保存条件: Room Temperature (15-30°C), Store Under Nitrogen
• 保存注意事项: Hygroscopic; IRRITANT
• RTECS编号: KR7260000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22; R:22
• 安全公开号: 36; S:36/37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• GHS警示性声明: P280F
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: >97%; ≥98%; ≥98.0% (AT); ≥98.0% (TLC); ≥98.0% (w/w) (T); 96%; 97+%
• 级别: purum
• 成盐信息: 2 HCl
• 适用性: corresponds for H-NMR
• 燃烧残渣: ≤0.1%
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; ≤100 ppm 1,2-dimethoxyethan; ≤5000 ppm ethanol; ≤5000 ppm tert-butyl methyl ether
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.02%; Cu: ≤0.0005%; Fe: ≤0.001%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: sulfate (SO42-): ≤0.05%
• 产品质量级别: GMP
• 线性分子式: NH2CH2CH2SSCH2CH2NH2 · 2HCl

详细说明

MP Biomedicals - 05224526

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100492

Dihydrochloride
Crystalline
Purity: >97%
Heparin antagonist; activates fructose diphosphate.

MP Biomedicals - 05212984

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C121509

Application
肝素拮抗剂和巯基改性试剂
包装
25, 100, 500 g in poly bottle

Sigma Aldrich - 30050

Other Notes
巯基改性试剂1

参考文献

• J. Biol. Chem. , 246 : 5952 (1971).