CAS No.144494-72-4,(S)-3-Amino-3-phenyl propionic acid methylester HCl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	144494-72-4
Name:	(S)-3-Amino-3-phenyl propionic acid methylester HCl
Article Data:	13

Formula:	C₁₀H₁₄ClNO₂
Molecular Weight:	215.68
Synonyms:	Benzenepropanoicacid, b-amino-, methyl ester,hydrochloride, (S)-;Benzenepropanoic acid, b-amino-, methyl ester, hydrochloride, (bS)- (9CI);(betaS)-beta-Aminobenzenepropanoic acid methyl ester hydrochloride;
Boiling Point:	317.4 °C at 760 mmHg
Flash Point:	145.8 °C
PSA:	52.32000
LogP:	2.75180

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Specification

The systematic name of (betaS)-beta-Aminobenzenepropanoic acid methyl ester hydrochloride is methyl (3S)-3-amino-3-phenylpropanoate hydrochloride. With the CAS registry number 144494-72-4, it is also named as Benzenepropanoic acid, b-amino-, methyl ester,hydrochloride (1:1), (bS)-. In addition, its molecular formula is C₁₀H₁₄ClNO₂ and molecular weight is 215.67666.

The other characteristics of (betaS)-beta-Aminobenzenepropanoic acid methyl ester hydrochloride can be summarized as: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 52.32 Å²; (7)Flash Point: 145.8 °C; (8)Enthalpy of Vaporization: 56.99 kJ/mol; (9)Boiling Point: 317.4 °C at 760 mmHg; (10)Vapour Pressure: 0.000283 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: N[C@@H](CC(=O)OC)c1ccccc1.Cl
(2)InChI: InChI=1/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
(3)InChIKey: GYKTZBZYSKZYDB-FVGYRXGTBS
(4)Std. InChI: InChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
(5)Std. InChIKey: GYKTZBZYSKZYDB-FVGYRXGTSA-N