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Cas Database |
| Name |
L-Leucinamide,N-[(phenylmethoxy)carbonyl]glycyl- |
EINECS | N/A |
| CAS No. | 7535-72-0 | Density | 1.172 g/cm3 |
| PSA | 110.52000 | LogP | 2.41110 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H23N3O4 | Boiling Point | 599.8 °C at 760 mmHg |
| Molecular Weight | 321.376 | Flash Point | 316.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, [[(1-carbamoyl-3-methylbutyl)carbamoyl]methyl]-, benzyl ester (7CI);Carbamic acid, [[(1-carbamoyl-3-methylbutyl)carbamoyl]methyl]-, benzyl ester,L- (8CI);Leucinamide, N-carboxyglycyl-, benzyl ester, L- (8CI);Benzyloxycarbonylglycyl-L-leucinamide;N-(Benzyloxycarbonyl)glycyl-L-leucinamide;N-Benzyloxycarbonylglycyl-L-leucineamide;N-Carbobenzoxy-glycyl-leucine amide;N-Carbobenzoxyglycyl-L-leucinamide; |
Article Data | 8 |
L-Leucinamide,N-[(phenylmethoxy)carbonyl]glycyl- Specification
The L-Leucinamide,N-[(phenylmethoxy)carbonyl]glycyl- is an organic compound with the formula C16H23N3O4. The systematic name of this chemical is N-[(benzyloxy)carbonyl]glycyl-L-leucinamide. With the CAS registry number 7535-72-0, it is also named as [(1-Carbamoyl-3-methyl-butylcarbamoyl)-methyl]-carbamic acid benzyl ester.
Physical properties about L-Leucinamide,N-[(phenylmethoxy)carbonyl]glycyl- are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 14.79; (5)ACD/BCF (pH 7.4): 14.78; (6)ACD/KOC (pH 5.5): 239.35; (7)ACD/KOC (pH 7.4): 239.17; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 70.16 Å2; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 85.34 cm3; (14)Molar Volume: 274 cm3; (15)Polarizability: 33.83×10-24cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.172 g/cm3; (18)Flash Point: 316.6 °C; (19)Enthalpy of Vaporization: 89.29 kJ/mol; (20)Boiling Point: 599.8 °C at 760 mmHg; (21)Vapour Pressure: 2.4E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)CC(C)C
(2)InChI: InChI=1/C16H23N3O4/c1-11(2)8-13(15(17)21)19-14(20)9-18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20)/t13-/m0/s1
(3)InChIKey: YNCAXHGPWXYIPH-ZDUSSCGKBR
(4)Std. InChI: InChI=1S/C16H23N3O4/c1-11(2)8-13(15(17)21)19-14(20)9-18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20)/t13-/m0/s1
(5)Std. InChIKey: YNCAXHGPWXYIPH-ZDUSSCGKSA-N
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