Basic information
- CAS
701192-56-5- Standard SMILES
C[n+]1ccc(N(CCCl)CCCl)cc1- InChIKey
QUMQRGCVXREYTK-UHFFFAOYSA-N- Molecular formula
- C10H15Cl2N2+
- Average molar mass
- 234.14 g/mol
- Monoisotopic mass
- 233.0612289
Names & identifiers
- Preferred name
- 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium
- IUPAC
- N,N-bis(2-chloroethyl)-1-methylpyridin-1-ium-4-amine
Names & synonyms
B2K6AW6E924-(Bis(2-chloroethyl)amino)-1-methylpyridiniumPyridinium, 4-[bis(2-chloroethyl)amino]-1-methyl-701192-56-5
Database identifiers
- CAS
701192-56-5- PubChem CID
- 417486
- UNII
- B2K6AW6E92
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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