CAS No.535-34-2,CYSTATHIONINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	535-34-2
Name:	CYSTATHIONINE
Article Data:	5

Formula:	C₇H₁₄N₂O₄S
Molecular Weight:	222.265
Synonyms:	DL-S-(2-Amino-2-carboxyethyl)-Homocysteine;S-(2-Amino-2-carboxyethyl)-L-homocysteine;
EINECS:	208-613-7
Density:	1.43 g/cm³
Melting Point:	315-316 °C
Boiling Point:	481.009 °C at 760 mmHg
Flash Point:	244.705 °C
Appearance:	WHITE TO OFF-WHITE POWDER
PSA:	151.94000
LogP:	0.33410

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Specification

The Homocysteine,S-(2-amino-2-carboxyethyl)-, with the CAS registry number 535-34-2, is also known as DL-S-(2-Amino-2-carboxyethyl)-Homocysteine and S-(2-Amino-2-carboxyethyl)-L-homocysteine. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Intermediates; Sulfur & Selenium Compounds. Its EINECS registry number is 208-613-7. This chemical's molecular formula is C₇H₁₄N₂O₄S and molecular weight is 222.2621. What's more, its IUPAC name is called 2-Amino-4-(2-amino-3-hydroxy-3-oxopropyl)sulfanylbutanoic acid.

Physical properties about Homocysteine,S-(2-amino-2-carboxyethyl)- are: (1)ACD/LogP: -0.66; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 151.94 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 52.593 cm³; (15)Molar Volume: 155.411 cm³; (16)Surface Tension: 75.25 dyne/cm; (17)Density: 1.43 g/cm³; (18)Flash Point: 244.705 °C; (19)Enthalpy of Vaporization: 81.667 kJ/mol; (20)Boiling Point: 481.009 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C; (22)Melting Point: 315-316 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)CSCC[C@@H](C(=O)O)N
(2) InChI: InChI=1/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5?/m0/s1
(3) InChIKey: ILRYLPWNYFXEMH-ROLXFIACBK