Basic information
- CAS
100482-48-2- Standard SMILES
CC(=O)CCN(CCCl)CCCl- InChIKey
VQKLXBSWQMVZHJ-UHFFFAOYSA-N- Molecular formula
- C8H15Cl2NO
- Average molar mass
- 212.11 g/mol
- Monoisotopic mass
- 211.0530695
Names & identifiers
- Preferred name
- 2-Butanone, 4-(bis(2-chloroethyl)amino)-
- IUPAC
- 4-[bis(2-chloroethyl)amino]butan-2-one
Names & synonyms
BRN 17671162-BUTANONE, 4-(BIS(2-CHLOROETHYL)AMINO)-4-(Bis(2-chloroethyl)amino)-2-butanone100482-48-2DTXSID201433273-04-00-00883 (Beilstein Handbook Reference)RefChem:257838DTXCID40658184-[bis(2-chloroethyl)amino]butan-2-one
Database identifiers
- CAS
100482-48-2- PubChem CID
- 46418
- DTXSID
DTXSID20143327- Nikkaji
- J65.727A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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