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| CAS No.: | 269398-82-5 |
|---|---|
| Name: | (R)-3-AMINO-4-(3-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C11H15NO2.HCl |
| Molecular Weight: | 229.70 |
| Synonyms: | (R)-3-Amino-4-(3-methylphenyl)butanoicacid;(3R)-3-Amino-4-(3-methylphenyl)butanoic acid hydrochloride (1:1); |
| Density: | 1.135±0.06 g/cm3(Predicted) |
| Boiling Point: | 374.4 °C at 760 mmHg |
| Flash Point: | 180.2 °C |
| PSA: | 63.32000 |
| LogP: | 2.84180 |
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Specification
The CAS register number of (R)-3-Amino-4-(3-methylphenyl)butyric acid hydrochloride is 269398-82-5. It also can be called as Benzenebutanoic acid, b-amino-3-methyl-, (bR)- and the systematic name about this chemical is Benzenebutanoic acid, β-amino-3-methyl-, (betaR)-, hydrochloride (1:1). The molecular formula about this chemical is C11H15NO2.HCl and the molecular weight is 229.70. It belongs to the following product categories, such as 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino and so on.
Physical properties about (R)-3-Amino-4-(3-methylphenyl)butyric acid hydrochloride are: (1)ACD/LogP: 1.79; (2)#Freely Rotating Bonds: 5; (3)Polar Surface Area: 63.32Å2; (4)Flash Point: 180.2 °C; (5)Enthalpy of Vaporization: 65.59 kJ/mol; (6)Boiling Point: 374.4 °C at 760 mmHg; (7)Vapour Pressure: 2.87E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@H](Cc1cccc(C)c1)CC(O)=O
(2)InChI: InChI=1/C11H15NO2.ClH/c1-8-3-2-4-9(5-8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
(3)InChIKey: CQHTUCDBCBKMKL-HNCPQSOCBZ
(4)Std. InChI: InChI=1S/C11H15NO2.ClH/c1-8-3-2-4-9(5-8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
(5)Std. InChIKey: CQHTUCDBCBKMKL-HNCPQSOCSA-N