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1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-oxo-, 1,1-dimethylethyl ester (190900-21-1)

Identification
Name:1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-oxo-, 1,1-dimethylethyl ester
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;
CAS:190900-21-1
Molecular Formula: C10H18N2O3
Molecular Weight: 214.26
InChI: InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)
Molecular Structure: (C10H18N2O3) 1,1-Dimethylethylhexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate;5-Oxo-[1,4]diazepane-1-carboxylicaci...
Properties
Density:1.098g/cm3
Refractive index:1.475
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: 58.64?2; (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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