3-Methylphenyl-D-alanine supplier

Name
3-Methylphenyl-D-alanine
EINECS 145-896-5
CAS No. 114926-39-5
Article Data5
CAS DataBase
Density 1.165 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₂
Boiling Point 322.8 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 149 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms D-3-Methylphenylalanine;(2R)-2-Amino-3-(3-methylphenyl)propanoic acid;
PSA 49.33000
LogP 1.95300

3-Methylphenyl-D-alanine Specification

The D-Phenylalanine,3-methyl-, with CAS registry number 114926-39-5, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)A-amino. It has the systematic name of 3-methyl-L-phenylalanine. This chemical should be stored at the temperature of -15°C.

Physical properties of D-Phenylalanine,3-methyl-: (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)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)Enthalpy of Vaporization: 59.62 kJ/mol; (19)Vapour Pressure: 0.000112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1cccc(c1)C
(2)InChI: InChI=1/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
(3)InChIKey: JZRBSTONIYRNRI-VIFPVBQEBI
(4)Std. InChI: InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
(5)Std. InChIKey: JZRBSTONIYRNRI-VIFPVBQESA-N

Product Name

3-Methylphenyl-D-alanine

3-Methylphenyl-D-alanine Specification

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