2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide
Basic information
- CAS
64037-45-2- Standard SMILES
CC(=O)CC[NH+](CCCl)CCCl.[Br-]- InChIKey
NDRYRJHZJURPEM-UHFFFAOYSA-N- Molecular formula
- C8H16BrCl2NO
- Average molar mass
- 293.03 g/mol
- Monoisotopic mass
- 290.97923
Names & identifiers
- Preferred name
- 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide
- IUPAC
- bis(2-chloroethyl)-(3-oxobutyl)azanium bromide
Names & synonyms
TL 9282-BUTANONE, 4-(BIS(2-CHLOROETHYLAMINO)-, HYDROBROMIDE2-Butanone, 4-(2,2'-dichloro-diethylamino)-, hydrobromide64037-45-2RefChem:257839
Database identifiers
- CAS
64037-45-2- PubChem CID
- 46417
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 124
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Compound notes
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