The Benzenepropanamide, alpha-amino-, hydrochloride (1:1), (alphaS)-, with the CAS registry number 65864-22-4, is also known as (2S)-2-amino-3-phenylpropanamide hydrochloride. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Phenylalanine [Phe, F]; Amino Hydrochloride; Amino Acids; I - Z; Modified Amino Acids. This chemical's molecular formula is C9H13ClN2O and formula weight is 200.67. What's more, its systematic name is called L-phenylalaninamide hydrochloride (1:1).
Physical properties of Benzenepropanamide, alpha-amino-, hydrochloride (1:1), (alphaS)-: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Flash Point: 169.7 °C; (7)Enthalpy of Vaporization: 60.22 kJ/mol; (8)Boiling Point: 356.9 °C at 760 mmHg; (9)Vapour Pressure: 2.83E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(N)[C@@H](N)Cc1ccccc1
(2)InChI: InChI=1/C9H12N2O.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H2,11,12);1H/t8-;/m0./s1
(3)InChIKey: KLHLGTPNBQXSJT-QRPNPIFTBS
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