Basic information
- CAS
101914-00-5- Standard SMILES
C[N+]([O-])(CCCl)CCCCCC[N+](C)([O-])CCCl- InChIKey
MNEZRKBUSNQRTK-UHFFFAOYSA-N- Molecular formula
- C12H26Cl2N2O2
- Average molar mass
- 301.25 g/mol
- Monoisotopic mass
- 300.1371335
Names & identifiers
- Preferred name
- N~1~,N~6~-Bis(2-chloroethyl)-N~1~,N~6~-dimethylhexane-1,6-diamine N-oxide
- IUPAC
- N,N'-bis(2-chloroethyl)-N,N'-dimethylhexane-1,6-diamine oxide
Names & synonyms
101914-00-5DTXSID50906821N~1~,N~6~-Bis(2-chloroethyl)-N~1~,N~6~-dimethylhexane-1,6-diamine N-oxideRefChem:1093405DTXCID901335916BRN 1713153N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,6-hexanediamine N,N'-dioxide1,6-HEXANEDIAMINE, N,N'-BIS(2-CHLOROETHYL)-N,N'-DIMETHYL-, N,N'-DIOXIDE4-04-00-01324 (Beilstein Handbook Reference)
Database identifiers
- CAS
101914-00-5- PubChem CID
- 59112
- DTXSID
DTXSID50906821- Nikkaji
- J133.893E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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