Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(betaS)-beta-Aminobenzenepropanoic acid methyl ester hydrochloride |
EINECS | N/A |
CAS No. | 144494-72-4 | Density | N/A |
PSA | 52.32000 | LogP | 2.75180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H14ClNO2 | Boiling Point | 317.4 °C at 760 mmHg |
Molecular Weight | 215.68 | Flash Point | 145.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenepropanoicacid, b-amino-, methyl ester,hydrochloride, (S)-;Benzenepropanoic acid, b-amino-, methyl ester, hydrochloride, (bS)- (9CI);(betaS)-beta-Aminobenzenepropanoic acid methyl ester hydrochloride; |
Article Data | 13 |
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