N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium
Basic information
- CAS
19573-24-1- Standard SMILES
C[N+](CCCl)(CCCl)Cc1ccc([N+](=O)[O-])cc1- InChIKey
MBRFMTXYGMPQPW-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2N2O2+
- Average molar mass
- 292.18 g/mol
- Monoisotopic mass
- 291.0667082
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium
- IUPAC
- bis(2-chloroethyl)-methyl-[(4-nitrophenyl)methyl]azanium
Names & synonyms
NCIOpen2_008610CHEMBL88101SCHEMBL29847396DTXSID20119076319573-24-1NCI60_038987N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium2-Chloro-N-(2-chloroethyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethan-1-aminium
Database identifiers
- CAS
19573-24-1- PubChem CID
- 376258
- DTXSID
DTXSID201190763- ChEMBL
CHEMBL88101- Nikkaji
- J558.205I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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