1,6-Hexanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
Basic information
- CAS
101913-99-9- Standard SMILES
CN(CCCl)CCCCCCN(C)CCCl- InChIKey
UPDJDXOCWVZJBQ-UHFFFAOYSA-N- Molecular formula
- C12H26Cl2N2
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 268.1473042
Names & identifiers
- Preferred name
- 1,6-Hexanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
- IUPAC
- N,N'-bis(2-chloroethyl)-N,N'-dimethylhexane-1,6-diamine
Names & synonyms
BRN 17581241,6-HEXANEDIAMINE, N,N'-BIS(2-CHLOROETHYL)-N,N'-DIMETHYL-101913-99-9N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,6-hexanediamineDTXSID70144344RefChem:221580DTXCID9066835N~1~,N~6~-Bis(2-chloroethyl)-N~1~,N~6~-dimethylhexane-1,6-diamine
Database identifiers
- CAS
101913-99-9- PubChem CID
- 59111
- DTXSID
DTXSID70144344- Nikkaji
- J73.687B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 129
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Compound notes
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