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CAS No.: | 462-10-2 |
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Name: | DL-Homocystine |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C8H16N2O4S2 |
Molecular Weight: | 268.358 |
Synonyms: | 4,4'-Disulfanediylbis(2-aminobutanoic acid);2-Amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid; |
EINECS: | 207-323-8 |
Density: | 1.444 g/cm3 |
Melting Point: | 281-284 °C (dec.) |
Boiling Point: | 507.58 °C at 760 mmHg |
Flash Point: | 260.775 °C |
Safety: | 22-24/25 |
PSA: | 177.24000 |
LogP: | 1.37240 |
The Butanoic acid,4,4'-dithiobis[2-amino-, with the CAS registry number 462-10-2, is also known as 4,4'-Disulfanediylbis(2-aminobutanoic acid). Its EINECS registry number is 207-323-8. The molecular formula of this chemical is C8H16N2O4S2 and molecular weight is 268.3536. What's more, its IUPAC name is 2-Amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid. When you are dealing with this chemical, you should be very careful. Do not breathe dust and avoid contacting with skin and eyes.
Physical properties about Butanoic acid,4,4'-dithiobis[2-amino- are: (1)ACD/LogP: 0.85; (2)#of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 177.24 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 65.223 cm3; (13)Molar Volume: 185.887 cm3; (14)Polarizability: 25.856×10-24 cm3; (15)Surface Tension: 75.625 dyne/cm; (16)Density: 1.444 g/cm3; (17)Flash Point: 260.775 °C; (18)Enthalpy of Vaporization: 85.126 kJ/mol; (19)Boiling Point: 507.58 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C; (21)Melting Point: 281-284 °C (dec.); (22) Alpha: 77 º(c=1%,1N HCl).
You can still convert the following datas into molecular structure:
(1) SMILES: C(CSSCCC(C(=O)O)N)C(C(=O)O)N
(2) InChI: InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
(3) InChIKey: ZTVZLYBCZNMWCF-UHFFFAOYAO