Carbamic acid, (2-chloroethyl)nitroso-, ethyl ester
Basic information
- CAS
6296-45-3- Standard SMILES
CCOC(=O)N(CCCl)N=O- InChIKey
NFCXERZWGPTYNW-UHFFFAOYSA-N- Molecular formula
- C5H9ClN2O3
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 180.0301698
Names & identifiers
- Preferred name
- Carbamic acid, (2-chloroethyl)nitroso-, ethyl ester
- IUPAC
- ethyl N-(2-chloroethyl)-N-nitrosocarbamate
- English name
- 2-Chloroethyl-N-nitrosourethane
- Molecular formula
- C5H9ClN2O3
- Molecular weight
- 180.59
Names & synonyms
2-Chloroethyl-N-nitrosourethane6296-45-3N-(2-Chloroethyl)-N-nitrosourethaneCARBAMIC ACID, (2-CHLOROETHYL)NITROSO-, ETHYL ESTERNSC-475416MK9MY7HC5DTXSID70212158RefChem:1080799DTXCID70134649TL 154ethyl N-(2-chloroethyl)-N-nitrosocarbamateNSC 47541
Show more names
TL-154(2-Chloroethyl)nitrosocarbamic acid ethyl esterCarbamic acid, (2-chloroethyl)nitroso-, ethyl ester (7CI,8CI,9CI)
N-(beta-Chloroethyl)-N-nitrosourethanN-(beta-Chloroethyl)-N-nitrosourethaneBRN 1781530Ethyl N-(beta-chloroethyl)-N-nitrosocarbamateN-(2-Chloroethyl)-N-nitrosocarbamate ethyl esterEthylester kyseliny N-(2-chlorethyl)-N-nitrosokarbaminove [Czech]WLN: ON2OVM2GCHEMBL163903
Database identifiers
- CAS
6296-45-3- PubChem CID
- 22732
- DTXSID
DTXSID70212158- ChEMBL
CHEMBL163903- UNII
- 6MK9MY7HC5
- Nikkaji
- J35.098B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Density
- 1.5476 · 1.5476 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
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Related reactions
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Compound notes
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