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Cas Database |
| Name |
1-N-Boc-5-oxo-1,4-diazepane |
EINECS | N/A |
| CAS No. | 190900-21-1 | Density | 1.098 g/cm3 |
| PSA | 58.64000 | LogP | 1.01010 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H18N2O3 | Boiling Point | 373.054 °C at 760 mmHg |
| Molecular Weight | 214.265 | Flash Point | 179.417 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,1-Dimethylethylhexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate;5-Oxo-[1,4]diazepane-1-carboxylicacid tert-butyl ester;tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate; |
Article Data | 12 |
1-N-Boc-5-oxo-1,4-diazepane Specification
The cas register number of 1-N-Boc-5-oxo-1,4-diazepane is 190900-21-1. It also can be called as 5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester and the IUPAC Name about this chemical is tert-butyl 5-oxo-1,4-diazepane-1-carboxylate.
Physical properties about 1-N-Boc-5-oxo-1,4-diazepane are: (1)ACD/LogP: 0.36; (2)ACD/LogD (pH 5.5): 0.36; (3)ACD/LogD (pH 7.4): 0.36; (4)ACD/BCF (pH 5.5): 1.106; (5)ACD/BCF (pH 7.4): 1.106; (6)ACD/KOC (pH 5.5): 37.408; (7)ACD/KOC (pH 7.4): 37.408; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 58.64Å2; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 54.919 cm3; (14)Molar Volume: 194.967 cm3; (15)Polarizability: 21.771x10-24cm3; (16)Surface Tension: 37.515 dyne/cm; (17)Enthalpy of Vaporization: 62.027 kJ/mol.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(=O)NCC1
(2)InChI: InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)
(3)InChIKey: GLJYPTWEXBUATJ-UHFFFAOYSA-N
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