1-Chloro-N-methyl-N-nitromethanamine
Basic information
- CAS
13126-14-2- Standard SMILES
CN(CCl)[N+](=O)[O-]- InChIKey
LSDHGGSWGKIDCA-UHFFFAOYSA-N- Molecular formula
- C2H5ClN2O2
- Average molar mass
- 124.53 g/mol
- Monoisotopic mass
- 124.0039551
Names & identifiers
- Preferred name
- 1-Chloro-N-methyl-N-nitromethanamine
- IUPAC
- N-(chloromethyl)-N-methylnitramide
Names & synonyms
1-Chloro-N-methyl-N-nitromethanamine13126-14-2RefChem:2295381-chloro-2-nitro-2-azapropaneDTXSID301292085N-(chloromethyl)-N-methylnitramideAKOS006385686
Database identifiers
- CAS
13126-14-2- PubChem CID
- 12455697
- DTXSID
DTXSID301292085- Nikkaji
- J844.735G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70.6
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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