3-Chloro-N,N-bis(2-chloroethyl)-1-butanamine
Basic information
- CAS
64037-58-7- Standard SMILES
CC(Cl)CCN(CCCl)CCCl- InChIKey
YHCKFYDONCNCPE-UHFFFAOYSA-N- Molecular formula
- C8H16Cl3N
- Average molar mass
- 232.6 g/mol
- Monoisotopic mass
- 231.034833
Names & identifiers
- Preferred name
- 3-Chloro-N,N-bis(2-chloroethyl)-1-butanamine
- IUPAC
- 3-chloro-N,N-bis(2-chloroethyl)butan-1-amine
Names & synonyms
64037-58-73-Chloro-N,N-bis(2-chloroethyl)-1-butanamine3-chloro-N,N-bis(2-chloroethyl)butan-1-amineDTXSID409820181-Butanamine, 3-chloro-N,N-bis(2-chloroethyl)-
Database identifiers
- CAS
64037-58-7- PubChem CID
- 115704
- DTXSID
DTXSID40982018- Nikkaji
- J384.134K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 94.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…