(s)-3-amino-5-hexenoic acid hydrochloride supplier

Name
(s)-3-amino-5-hexenoic acid hydrochloride
EINECS
CAS No. 270263-02-0
Article Data3
CAS DataBase
Density 1.064
Solubility
Melting Point
Formula C₆H₁₂ClNO₂
Boiling Point 244.7 °C at 760 mmHg
Molecular Weight 165.62
Flash Point 101.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-beta-Homoallylglycine hydrochloride;(3S)-3-Amino-5-hexenoic acid hydrochloride;(3S)-3-Aminohex-5-enoic acid hydrochloride;5-Hexenoic acid, 3-amino-, (3S)-, hydrochloride (1:1);TL8002175;
PSA 63.32000
LogP 1.86680

(s)-3-amino-5-hexenoic acid hydrochloride Specification

The (S)-3-Amino-5-hexenoic acid hydrochloride, with the CAS registry number 270263-02-0, is also known as 5-Hexenoic acid, 3-amino-, (3S)-, hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₆H₁₂ClNO₂ and molecular weight is 165.62. What's more, its systematic name is (3S)-3-aminohex-5-enoic acid hydrochloride.

Physical properties of (S)-3-Amino-5-hexenoic acid hydrochloride are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 29.54 Å²; (10)Flash Point: 101.8 °C; (11)Enthalpy of Vaporization: 53.06 kJ/mol; (12)Boiling Point: 244.7 °C at 760 mmHg; (13)Vapour Pressure: 0.00978 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C[C@@H](N)C\C=C
(2)InChI: InChI=1S/C6H11NO2.ClH/c1-2-3-5(7)4-6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
(3)InChIKey: JFPGGODHJJCONI-JEDNCBNOSA-N

Product Name

(s)-3-amino-5-hexenoic acid hydrochloride

(s)-3-amino-5-hexenoic acid hydrochloride Specification

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