(S)-3-Amino-6-phenyl-5-hexenoicacid supplier

Name
(S)-3-AMINO-(6-PHENYL)-5-HEXENOIC ACID HYDROCHLORIDE
EINECS
CAS No. 270263-08-6
Density 1.149
Solubility
Melting Point
Formula C₁₂H₁₆ClNO₂
Boiling Point 440.6 °C at 760 mmHg
Molecular Weight 241.71
Flash Point 220.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S,5E)-3-Amino-6-phenyl-5-hexenoic acid hydrochloride;5-Hexenoic acid, 3-amino-6-phenyl-, (3S,5E)-, hydrochloride (1:1);TL8006430;
PSA 63.32000
LogP 3.39420

(S)-3-Amino-6-phenyl-5-hexenoicacid Specification

The (S)-3-Amino-6-phenyl-5-hexenoicacid, with the CAS registry number 270263-08-6, is also known as 5-Hexenoic acid, 3-amino-6-phenyl-, (3S,5E)-, hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₁₂H₁₆ClNO₂ and molecular weight is 241.71. What's more, its systematic name is (3S,5E)-3-amino-6-phenylhex-5-enoic acid hydrochloride.

Physical properties of (S)-3-Amino-6-phenyl-5-hexenoicacid are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 29.54 Å²; (9)Flash Point: 220.3 °C; (10)Enthalpy of Vaporization: 73.54 kJ/mol; (11)Boiling Point: 440.6 °C at 760 mmHg; (12)Vapour Pressure: 1.53E-08 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/c1ccccc1
(2)InChI: InChI=1S/C12H15NO2.ClH/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10;/h1-7,11H,8-9,13H2,(H,14,15);1H/b7-4+;/t11-;/m0./s1
(3)InChIKey: OREIHEVSPFNFKW-OSVHXEEUSA-N

Product Name

(S)-3-AMINO-(6-PHENYL)-5-HEXENOIC ACID HYDROCHLORIDE

(S)-3-Amino-6-phenyl-5-hexenoicacid Specification

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