Allylamine, N,N-bis(2-chloroethyl)-, hydrochloride
Basic information
- CAS
63905-38-4- Standard SMILES
C=CC[NH+](CCCl)CCCl.[Cl-]- InChIKey
FYRAKQOKFVFICE-UHFFFAOYSA-N- Molecular formula
- C7H14Cl3N
- Average molar mass
- 218.5 g/mol
- Monoisotopic mass
- 217.019183
Names & identifiers
- Preferred name
- Allylamine, N,N-bis(2-chloroethyl)-, hydrochloride
- IUPAC
- bis(2-chloroethyl)-prop-2-enylazanium chloride
Names & synonyms
ALLYLAMINE, N,N-BIS(2-CHLOROETHYL)-, HYDROCHLORIDE63905-38-4RefChem:1076369Allyl-bis(beta-chloroethyl)amine hydrochlorideNSC 122093
Database identifiers
- CAS
63905-38-4- PubChem CID
- 45080
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 79.7
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Compound notes
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