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270596-35-5

Basic Information
CAS No.: 270596-35-5
Name: (R)-3-AMINO-(6-PHENYL)-5-HEXENOIC ACID HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 270596-35-5 ((R)-3-AMINO-(6-PHENYL)-5-HEXENOIC ACID HYDROCHLORIDE)
Formula: C12H16ClNO2
Molecular Weight: 241.71
Synonyms: (R)-3-Amino-6-phenyl-5-hexenoicacid;(3R,5E)-3-Amino-6-phenyl-5-hexenoic acid hydrochloride;5-Hexenoic acid, 3-amino-6-phenyl-, (3R,5E)-, hydrochloride (1:1);(R)-3-Amino-(6-phenyl)-5-hexenoic acid-HCl;TL8006433;5-Hexenoic acid,3-amino-6-phenyl-, (3R)-;
Density: 1.149
Boiling Point: 440.6 °C at 760 mmHg
Flash Point: 220.3 °C
PSA: 63.32000
LogP: 3.39420
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  • (R,E)-3-AMINO-6-PHENYLHEX-5-ENOIC ACID HYDROCHLORIDE  CAS NO.270596-35-5

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Specification

The (R)-3-Amino-(6-phenyl)-5-hexenoic acid hydrochloride, with the CAS registry number 270596-35-5, is also known as 5-Hexenoic acid,3-amino-6-phenyl-, (3R)-. 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 (E,3R)-3-amino-6-phenyl-hex-5-enoic acid hydrochloride. 

Physical properties of (R)-3-Amino-(6-phenyl)-5-hexenoic acid hydrochloride are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 63.32 Å2; (7)Flash Point: 220.3 °C; (8)Enthalpy of Vaporization: 73.54 kJ/mol; (9)Boiling Point: 440.6 °C at 760 mmHg; (10)Vapour Pressure: 1.53E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC(=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-;/m1./s1
(3)InChIKey: OREIHEVSPFNFKW-QPJFETGUSA-N