1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
Basic information
- CAS
100991-85-3- Standard SMILES
CN(CCCl)CCCCN(C)CCCl- InChIKey
PKPVVXDHYPNNCB-UHFFFAOYSA-N- Molecular formula
- C10H22Cl2N2
- Average molar mass
- 241.2 g/mol
- Monoisotopic mass
- 240.1160041
Names & identifiers
- Preferred name
- 1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
- IUPAC
- N,N'-bis(2-chloroethyl)-N,N'-dimethylbutane-1,4-diamine
Names & synonyms
BRN 17507161,4-BUTANEDIAMINE, N,N'-BIS(2-CHLOROETHYL)-N,N'-DIMETHYL-100991-85-3N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,4-butanediamineDTXSID201436054-04-00-01285 (Beilstein Handbook Reference)RefChem:220274DTXCID4066096N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine
Database identifiers
- CAS
100991-85-3- PubChem CID
- 58138
- DTXSID
DTXSID20143605- Nikkaji
- J64.616D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 109
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Compound notes
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