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| CAS No.: | 870-93-9 |
|---|---|
| Name: | DL-Homocystine |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C8H16N2O4S2 |
| Molecular Weight: | 268.358 |
| Synonyms: | Butanoicacid, 4,4'-dithiobis[2-amino-, (R*,R*)-(?à)-;Butyric acid, 4,4'-dithiobis[2-amino-, DL- (8CI);DL-4,4'-Dithiobis(2-aminobutyric acid);NSC 226570; |
| EINECS: | 212-803-5 |
| Density: | 1.443 g/cm3 |
| Melting Point: | ≥300 °C |
| Boiling Point: | 507.6 °C at 760 mmHg |
| Flash Point: | 260.8 °C |
| Solubility: | 0.2g/L(25 oC) |
| Appearance: | white to slightly beige solid |
| PSA: | 177.24000 |
| LogP: | 1.37240 |
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Specification
The DL-Homocystine, with CAS registry number 870-93-9, belongs to the following product category: Amino Acids. It has the systematic name of 4,4'-disulfanediylbis(2-aminobutanoic acid). This chemical is a kind of white to slightly beige solid. What's more, its EINECS is 212-803-5.
Physical properties of DL-Homocystine: (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: 25.856×10-24cm3; (15)Surface Tension: 75.625 dyne/cm; (16)Enthalpy of Vaporization: 85.126 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
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
(4)Std. InChI: InChI=1S/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)
(5)Std. InChIKey: ZTVZLYBCZNMWCF-UHFFFAOYSA-N