4-Methyl-D-phenylalanine supplier

Name
4-Methyl-D-phenylalanine
EINECS
CAS No. 49759-61-7
Article Data11
CAS DataBase
Density 1.165 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₂
Boiling Point 323.5 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 149.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms D-4-Methylphenylalanine;D-4'-Methylphenylalanine;p-Methyl-D-phenylalanine;(2R)-2-Amino-3-(4-methylphenyl)propanoic acid;
PSA 63.32000
LogP 1.64970

4-Methyl-D-phenylalanine Specification

The 4-Methyl-D-phenylalanine, with the CAS registry number 49759-61-7, has the systematic name of (2R)-2-ammonio-3-(4-methylphenyl)propanoate. And the molecular formula of this chemical is C₁₀H₁₃NO₂. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Phenylalanine [Phe, F]; Unusual Amino Acids; α-amino.

The physical properties of 4-Methyl-D-phenylalanine are as following: (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: 37.3 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 50.31 cm³; (15)Molar Volume: 153.7 cm³; (16)Polarizability: 19.94×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 149.5 °C; (20)Enthalpy of Vaporization: 59.69 kJ/mol; (21)Boiling Point: 323.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000107 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](Cc1ccc(cc1)C)[NH3+]
(2)InChI: InChI=1/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
(3)InChIKey: DQLHSFUMICQIMB-SECBINFHBB

Product Name

4-Methyl-D-phenylalanine

4-Methyl-D-phenylalanine Specification

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