1-N-Boc-5-oxo-1,4-diazepane supplier

Name
1-N-Boc-5-oxo-1,4-diazepane
EINECS
CAS No. 190900-21-1
Article Data12
CAS DataBase
Density 1.098 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈N₂O₃
Boiling Point 373.054 °C at 760 mmHg
Molecular Weight 214.265
Flash Point 179.417 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 58.64000
LogP 1.01010

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

Product Name

1-N-Boc-5-oxo-1,4-diazepane

1-N-Boc-5-oxo-1,4-diazepane Specification

Related Products

Hot Products