Basic Information | Post buying leads | Suppliers |
Name |
N-[(Benzyloxy)carbonyl]tryptophanamide |
EINECS | N/A |
CAS No. | 27018-75-3 | Density | 1.305 g/cm3 |
PSA | 97.21000 | LogP | 3.58190 |
Solubility | N/A | Melting Point |
166-168°C |
Formula | C19H19N3O3 | Boiling Point | 657.7 °C at 760 mmHg |
Molecular Weight | 337.37 | Flash Point | 351.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-[(Benzyloxy)carbonyl]tryptophanamide;Propanamide, 2-benzyloxycarbonylamino-3-(3-indolyl)-; |
The N-[(Benzyloxy)carbonyl]tryptophanamide with the CAS number 27018-75-3 is also called Carbamic acid,(1-carbamoyl-2-indol-3-ylethyl)-, benzyl ester (7CI,8CI). Its molecular formula is C19H19N3O3. The product category is Amino Acids & Derivatives. This chemical is an amino acid amide and intermediate in the preparation of L-Tryptophanamide Hydrochloride.
The properties of the chemical are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.94; (6)ACD/BCF (pH 7.4): 52.92; (7)ACD/KOC (pH 5.5): 596.32; (8)ACD/KOC (pH 7.4): 596.12; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 54.78 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 95.35 cm3; (15)Molar Volume: 258.3 cm3; (16)Polarizability: 37.8×10-24cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Enthalpy of Vaporization: 96.82 kJ/mol; (19)Vapour Pressure: 3.58×10-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(NC(=O)OCc1ccccc1)Cc3c2ccccc2nc3
(2)InChI: InChI=1/C19H19N3O3/c20-18(23)17(10-14-11-21-16-9-5-4-8-15(14)16)22-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,21H,10,12H2,(H2,20,23)(H,22,24)
(3)InChIKey: GGRKLCWXRBTPLH-UHFFFAOYAO