Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(s)-3-amino-5-hexenoic acid hydrochloride |
EINECS | N/A |
CAS No. | 270263-02-0 | Density | 1.064 |
PSA | 63.32000 | LogP | 1.86680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H12ClNO2 | Boiling Point | 244.7 °C at 760 mmHg |
Molecular Weight | 165.62 | Flash Point | 101.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 3 |
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