(S)-3-Amino-4-(2-methylphenyl)butyric acid hydrochloride supplier

Name
(S)-3-AMINO-4-(2-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE
EINECS
CAS No. 270062-89-0
Density 1.135±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₁₁H₁₅NO₂^.HCl
Boiling Point 347.7 °C at 760 mmHg
Molecular Weight 229.7
Flash Point 164.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzenebutanoic acid, beta-amino-2-methyl-, (betaS)-, hydrochloride (1:1);(3S)-3-Amino-4-(2-methylphenyl)butanoic acid hydrochloride (1:1);
PSA 63.32000
LogP 2.84180

(S)-3-Amino-4-(2-methylphenyl)butyric acid hydrochloride Specification

The (S)-3-Amino-4-(2-methylphenyl)butyric acid hydrochloride with the cas number 270062-89-0 is also called benzenebutanoic acid, beta-amino-2-methyl-, (betaS)-, hydrochloride (1:1). The systematic name is (3S)-3-amino-4-(2-methylphenyl)butanoic acid hydrochloride. Its molecular formula is C₁₁H₁₅NO₂^.HCl. This chemical belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino.

The properties of the chemical are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54Å²; (13)Enthalpy of Vaporization: 62.48 kJ/mol; (14)Vapour Pressure: 1.99×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C[C@@H](N)Cc1ccccc1C
(2)InChI: InChI=1/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m0./s1

Product Name

(S)-3-AMINO-4-(2-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE

(S)-3-Amino-4-(2-methylphenyl)butyric acid hydrochloride Specification

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