2-Propen-1-amine, 2-chloro-N,N-bis(2-chloroethyl)-
Basic information
- CAS
64398-26-1- Standard SMILES
C=C(Cl)CN(CCCl)CCCl- InChIKey
WJTWXONHBKHOBJ-UHFFFAOYSA-N- Molecular formula
- C7H12Cl3N
- Average molar mass
- 216.5 g/mol
- Monoisotopic mass
- 215.003532
Names & identifiers
- Preferred name
- 2-Propen-1-amine, 2-chloro-N,N-bis(2-chloroethyl)-
- IUPAC
- 2-chloro-N,N-bis(2-chloroethyl)prop-2-en-1-amine
Names & synonyms
2-Propen-1-amine, 2-chloro-N,N-bis(2-chloroethyl)-64398-26-12-Chloro-N,N-bis(2-chloroethyl)-2-propen-1-amine2-chloro-N,N-bis(2-chloroethyl)prop-2-en-1-amineDTXSID90214614
Database identifiers
- CAS
64398-26-1- PubChem CID
- 45079
- DTXSID
DTXSID90214614
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
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Compound notes
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