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

• ChemBase ID: 51098
• Molecular Formular: C4H14Cl2N2S2
• Molecular Mass: 225.20336
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-aminoethyl)disulfanyl]ethan-1-amine dihydrochloride
• IUPAC Traditional name: cystamine dihydrochloride
• Synonyms: 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; 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

Database IDs

• CAS Number: 56-17-7
• EC Number: 200-260-7
• MDL Number: MFCD00012905
• Beilstein Number: 3616850
• Merck Index: 142776
• PubChem SID: 24858097; 24893096; 24892384; 162055861
• PubChem CID: 5941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.7485113
• LogD (pH = 7.4): -5.050597
• Log P: -0.75276333
• Molar Refractivity: 43.212 cm^3
• Polarizability: 17.318829 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 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)
• Melting Point: ~220 °C (dec.); 215-225 °C (dec.); 217-220 °C (dec.)(lit.); 217-220°C (Decomposes); 217-220°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• Storage Warning: Hygroscopic; IRRITANT
• RTECS: KR7260000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22
• Safety Statements: 36; S:36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• GHS Precautionary statements: P280F
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >97%; ≥98%; ≥98.0% (AT); ≥98.0% (TLC); ≥98.0% (w/w) (T); 96%; 97+%
• Grade: purum
• Salt Data: 2 HCl
• Suitability: corresponds for H-NMR
• Ignition Residue: ≤0.1%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; ≤100 ppm 1,2-dimethoxyethan; ≤5000 ppm ethanol; ≤5000 ppm tert-butyl methyl ether
• Cation Traces: 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%
• Antion Traces: sulfate (SO42-): ≤0.05%
• Quality Level: GMP
• Linear Formula: NH2CH2CH2SSCH2CH2NH2 · 2HCl

DETAILS

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
Heparin antagonist and sulfhydryl modifying reagent
Packaging
25, 100, 500 g in poly bottle

Sigma Aldrich - 30050

Other Notes
Sulfhydryl modifying reagent1

REFERENCES

• J. Biol. Chem. , 246 : 5952 (1971).