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| CAS No.: | 7763-16-8 |
|---|---|
| Name: | Z-GLN-ONP |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C19H19N3O7 |
| Molecular Weight: | 401.376 |
| Synonyms: | Glutamine,N2-carboxy-, N-benzyl p-nitrophenyl ester (6CI,7CI);Glutamine, N2-carboxy-,N2-benzyl p-nitrophenyl ester, L- (8CI);N-Carbobenzoxy-L-glutamine-p-nitrophenyl ester;N2-(Benzyloxycarbonyl)-L-glutamine p-nitrophenyl ester;(4-nitrophenyl) 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate;4-nitrophenyl N2-[(benzyloxy)carbonyl]glutaminate;Z-Gln-ONp; |
| EINECS: | 231-854-4 |
| Density: | 1.357 g/cm3 |
| Boiling Point: | 690.4 °C at 760 mmHg |
| Flash Point: | 371.3 °C |
| PSA: | 153.54000 |
| LogP: | 3.67510 |
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- Total:26 Page 1 of 1 1
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Specification
The L-Glutamine,N2-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester, with the CAS registry number 7763-16-8 and EINECS registry number 231-854-4, has the systematic name of 4-nitrophenyl N2-[(benzyloxy)carbonyl]glutaminate. It belongs to the product category of Amino Acid Derivatives. And the molecular formula of the chemical is C19H19N3O7. What's more, it should be stored at -20°C.
The characteristics of L-Glutamine,N2-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester are as followings: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.36; (6)ACD/BCF (pH 7.4): 52.31; (7)ACD/KOC (pH 5.5): 591.63; (8)ACD/KOC (pH 7.4): 591.09; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 121.97 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 100.68 cm3; (15)Molar Volume: 295.6 cm3; (16)Polarizability: 39.91×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 371.3 °C; (20)Enthalpy of Vaporization: 101.18 kJ/mol; (21)Boiling Point: 690.4 °C at 760 mmHg; (22)Vapour Pressure: 6.56E-19 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)C(NC(=O)OCc2ccccc2)CCC(=O)N
(2)InChI: InChI=1/C19H19N3O7/c20-17(23)11-10-16(21-19(25)28-12-13-4-2-1-3-5-13)18(24)29-15-8-6-14(7-9-15)22(26)27/h1-9,16H,10-12H2,(H2,20,23)(H,21,25)
(3)InChIKey: KIVQPDPRDVIJDJ-UHFFFAOYAN