(2S)-2-Amino-3-(2-methylphenyl)propanoic acid; sulfuric acid supplier

Name
O-methyl-3-phenyl-L-alanine hydrogen sulphate
EINECS 257-039-3
CAS No. 51186-39-1
Density
Solubility
Melting Point
Formula C₁₀H₁₅NO₆S
Boiling Point 326.2 °C at 760 mmHg
Molecular Weight 277.29
Flash Point 151.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms O-Methyl-3-phenyl-L-alanine hydrogen sulphate;Methyl L-phenylalaninate sulfate;L-Phenylalanine, methyl ester, sulfate (1:1);
PSA 146.30000
LogP 2.07770

(2S)-2-Amino-3-(2-methylphenyl)propanoic acid; sulfuric acid Specification

The (2S)-2-Amino-3-(2-methylphenyl)propanoic acid; sulfuric acid, with the CAS registry number 51186-39-1, is also known as O-Methyl-3-phenyl-L-alanine hydrogen sulphate. Its EINECS number is 257-039-3. This chemical's molecular formula is C₁₀H₁₅NO₆S and molecular weight is 277.29. What's more, its systematic name is 2-Methyl-L-phenylalanine sulfate.

Physical properties of (2S)-2-Amino-3-(2-methylphenyl)propanoic acid; sulfuric acid are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.93; (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: 4; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 151.1 °C; (14)Enthalpy of Vaporization: 60 kJ/mol; (15)Boiling Point: 326.2 °C at 760 mmHg; (16)Vapour Pressure: 8.9E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.O=C(O)[C@@H](N)Cc1ccccc1C
(2)InChI: InChI=1S/C10H13NO2.H2O4S/c1-7-4-2-3-5-8(7)6-9(11)10(12)13;1-5(2,3)4/h2-5,9H,6,11H2,1H3,(H,12,13);(H2,1,2,3,4)/t9-;/m0./s1
(3)InChIKey: MYRFJBDNOSVJTE-FVGYRXGTSA-N

Product Name

O-methyl-3-phenyl-L-alanine hydrogen sulphate

(2S)-2-Amino-3-(2-methylphenyl)propanoic acid; sulfuric acid Specification

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