Basic information
- CAS
63982-14-9- Standard SMILES
CN(N=O)C(=O)OCCCl- InChIKey
AJDIYMCQSLSEAC-UHFFFAOYSA-N- Molecular formula
- C4H7ClN2O3
- Average molar mass
- 166.56 g/mol
- Monoisotopic mass
- 166.0145198
Names & identifiers
- Preferred name
- Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl N-methyl-N-nitrosocarbamate
- English name
- N-Methyl-N-nitrosocarbamic acid 2-chloroethyl ester
- Molecular formula
- C4H7ClN2O3
- Molecular weight
- 166.56
Names & synonyms
63982-14-9TL 233BRN 1770728CARBAMIC ACID, N-METHYL-N-NITROSO-, 2-CHLOROETHYL ESTERDTXSID602138913-04-00-00167 (Beilstein Handbook Reference)NSC 72164RefChem:332703DTXCID90136382N-methyl-N-nitrosocarbamic acid 2-chloroethyl esterNSC72164NSC-72164
Show more names
TL-233Carbamic acid, methylnitroso-, 2-chloroethyl ester (9CI)
2-Chloroethyl methyl(nitroso)carbamateAKOS006386190DB-309114
Database identifiers
- CAS
63982-14-9- PubChem CID
- 46064
- DTXSID
DTXSID60213891- Nikkaji
- J69.354E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 66 °C · 66 °C(Press: 2 Torr)
- Density
- 1.323 g/cm3 · 1.323 g/cm3
- pka
- -2.85 · -2.85±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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