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Cas Database |
| Name |
D-Phenylalanine,N-acetyl-, methyl ester |
EINECS | N/A |
| CAS No. | 21156-62-7 | Density | 1.117 g/cm3 |
| PSA | 55.40000 | LogP | 1.29770 |
| Solubility | N/A | Melting Point |
88 °C |
| Formula | C12H15NO3 | Boiling Point | 391 °C at 760 mmHg |
| Molecular Weight | 221.256 | Flash Point | 190.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Alanine,N-acetyl-3-phenyl-, methyl ester, D-(-)- (8CI);(-)-(R)-Methyl 2-Acetamido-3-phenylpropanoate;(R)-2-Acetamido-3-phenylpropionic acid methyl ester;(R)-2-Acetylamino-3-phenylpropanoic acid methyl ester;(R)-Methyl2-acetylamino-3-phenylpropanoate;(R)-N-(1-Benzyl-2-methoxy-2-oxoethyl)acetamide;(R)-N-Acetylphenylalanine methylester;D(-)-Methyl N-acetylphenylalaninate;D-N-Acetylphenylalanine methylester;Methyl (2R)-2-acetamido-3-phenylpropanoate;Methyl(R)-2-acetamido-3-phenylpropionate;Methyl (R)-N-acetylphenylalaninate;MethylD-N-acetylphenylalaninate;N-Acetyl-(R)-phenylalanine methyl ester;N-Acetyl-D-phenylalanine methyl ester; |
Article Data | 320 |
D-Phenylalanine,N-acetyl-, methyl ester Specification
The CAS registry number of D-Phenylalanine,N-acetyl-, methyl ester is 21156-62-7. This chemical is also named as 2-Acetylamino-3-phenyl-propionic acid methyl ester. In addition, its molecular formula is C12H15NO3 and molecular weight is 221.25. Its systematic name is called methyl N-acetyl-D-phenylalaninate.
Physical properties about D-Phenylalanine,N-acetyl-, methyl ester are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.88; (6)ACD/BCF (pH 7.4): 3.88; (7)ACD/KOC (pH 5.5): 91.86; (8)ACD/KOC (pH 7.4): 91.86; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 59.69 cm3; (14)Molar Volume: 198 cm3; (15)Surface Tension: 40 dyne/cm; (16)Density: 1.117 g/cm3; (17)Flash Point: 190.3 °C; (18)Enthalpy of Vaporization: 64.05 kJ/mol; (19)Boiling Point: 391 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@H](NC(=O)C)Cc1ccccc1
(2)InChI: InChI=1/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1
(3)InChIKey: IKGHIFGXPVLPFD-LLVKDONJBD
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