N-n-Butyl-N-nitrosourethane
Basic information
- CAS
6558-78-7- Standard SMILES
CCCCN(N=O)C(=O)OCC- InChIKey
RABAKMVAMFRJLX-UHFFFAOYSA-N- Molecular formula
- C7H14N2O3
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.10044231
Overview
structure
Names & identifiers
- Preferred name
- N-n-Butyl-N-nitrosourethane
- IUPAC
- ethyl N-butyl-N-nitrosocarbamate
- English name
- N-n-butyl-N-nitrosourethane
- Molecular formula
- C7H14N2O3
- Molecular weight
- 174.2
Names & synonyms
N-n-Butyl-N-nitrosourethaneBNURN-Butyl-N-nitrosourethane6558-78-7N-Butyl-N-nitrosourethanZ4B03CU3G6CARBAMIC ACID, N-BUTYL-N-NITROSO-, ETHYL ESTERNSC-123130DTXSID50215849RefChem:163931DTXCID30138340N-Nitrosobutylurethane
Show more names
N-Butyl-N-nitroso ethyl carbamateethyl butyl(nitroso)carbamateTL 478Carbamic acid, butylnitroso-, ethyl esterEthyl N-butyl-N-nitrosocarbamate1-Butyl-1-nitrosourethanCCRIS 843N-Butyl-N-nitrosocarbamate ethyl ester
Database identifiers
- CAS
6558-78-7- PubChem CID
- 23050
- DTXSID
DTXSID50215849- UNII
- Z4B03CU3G6
- Nikkaji
- J2.247K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 305.17 °C · 305.17°C (rough estimate)
- Density
- 1.2227 · 1.2227 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- FDA UNII
- 4 B03CU3G6 · Z4B03CU3G6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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