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Name |
2-Methylphenyl-D-alanine |
EINECS | 145-896-5 |
CAS No. | 80126-54-1 | Density | 1.165 g/cm3 |
PSA | 49.33000 | LogP | 1.95300 |
Solubility | N/A | Melting Point |
259-260 °C (decomp) |
Formula | C10H13NO2 | Boiling Point | 326.2 °C at 760 mmHg |
Molecular Weight | 179.219 | Flash Point | 151.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
D-2-Methylphenylalanine;D-2'-Methylphenylalanine;(R)-2-Amino-3-o-tolylpropionicacid; |
Article Data | 18 |
The 2-Methylphenyl-D-alanine, also known as D-Phenylalanine, 2-methyl-, is the organic compound with the formula C10H13NO2. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives; a-Amino. With the CAS registry number 80126-54-1, its IUPAC name is called (2R)-2-amino-3-(2-methylphenyl)propanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Methylphenyl-D-alanine: (1)ACD/LogP: 1.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 50.31 cm3; (11)Molar Volume: 153.7 cm3; (12)Surface Tension: 50.3 dyne/cm; (13)Density: 1.165 g/cm3; (14)Flash Point: 151.1 °C; (15)Enthalpy of Vaporization: 60 kJ/mol; (16)Boiling Point: 326.2 °C at 760 mmHg; (17)Vapour Pressure: 8.9E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1CC(C(=O)O)N
(2)Isomeric SMILES: CC1=CC=CC=C1C[C@H](C(=O)O)N
(3)InChI: InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
(4)InChIKey: NHBKDLSKDKUGSB-SECBINFHSA-N