CAS No.504-33-6,DL-Homocysteic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	504-33-6
Name:	DL-Homocysteic acid

Formula:	C₄H₉NO₅S
Molecular Weight:	183.185
Synonyms:	2-Amino-4-sulphobutyric acid;2-Amino-4-sulfobutanoic acid;(DL)-2-Amino-4-sulfobutanoic acid;L-2-Amino-4-sulfobutyric acid;β-Glycineethyl sulfonic acid;
EINECS:	207-991-0
Density:	1.638 g/cm³
Melting Point:	273 °C
Appearance:	White crystalline powder
Risk Codes:	36/37/38
Safety:	24/25
PSA:	126.07000
LogP:	0.45730

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Specification

The DL-Homocysteic acid, with the CAS registry number of 504-33-6, is also known as 2-Amino-4-sulphobutyric acid. It belongs to the product category of Amino Acids. Its EINECS registry number is 207-991-0. The molecular formula of this chemical is C₄H₉NO₅S and its molecular weight is 183.18. What's more, its IUPAC name is 2-Amino-4-sulfobutanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, avoid contact with skin and eyes.

Physical properties about DL-Homocysteic acid are: (1)ACD/LogP: -2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.76; (4)ACD/LogD (pH 7.4): -5.77; (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: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.29 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 36.16 cm³; (15)Molar Volume: 111.7 cm³; (16)Polarizability: 14.33×10^-24cm³; (17)Surface Tension: 85 dyne/cm; (18)Density: 1.638 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)CCC(C(=O)O)N
(2) InChI: InChI=1/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
(3) InChIKey: VBOQYPQEPHKASR-UHFFFAOYAD