Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
D-Tryptophan,N-(methoxycarbonyl)-, methyl ester |
EINECS | N/A |
CAS No. | 79631-04-2 | Density | 1.273 g/cm3 |
PSA | 80.42000 | LogP | 1.99890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H16N2O4 | Boiling Point | 494.1 °C at 760 mmHg |
Molecular Weight | 276.292 | Flash Point | 252.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Tryptophan, N-(methoxycarbonyl)-, methyl ester; |
Article Data | 1 |
The CAS registry number of D-Tryptophan,N-(methoxycarbonyl)-, methyl ester is 79631-04-2. This chemical is also named as Tryptophan, N-(methoxycarbonyl)-, methyl ester. In addition, its molecular formula is C14H16N2O4 and molecular weight is 276.2878. Its systematic name is called methyl N-(methoxycarbonyl)tryptophanate.
Physical properties about D-Tryptophan,N-(methoxycarbonyl)-, methyl ester are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.37; (6)ACD/BCF (pH 7.4): 22.36; (7)ACD/KOC (pH 5.5): 321.9; (8)ACD/KOC (pH 7.4): 321.81; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 73.71 cm3; (14)Molar Volume: 216.8 cm3; (15)Surface Tension: 51.5 dyne/cm; (16)Density: 1.273 g/cm3; (17)Flash Point: 252.6 °C; (18)Enthalpy of Vaporization: 76.14 kJ/mol; (19)Boiling Point: 494.1 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(NC(=O)OC)Cc2c1ccccc1nc2
(2)InChI: InChI=1/C14H16N2O4/c1-19-13(17)12(16-14(18)20-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,12,15H,7H2,1-2H3,(H,16,18)
(3)InChIKey: IYEKFSMKXYQRLC-UHFFFAOYAH