Basic information
- CAS
52337-92-5- Standard SMILES
CCCCN(CCCl)CCC#N.Cl- InChIKey
ZIXZZQJELBXOMX-UHFFFAOYSA-N- Molecular formula
- C9H18Cl2N2
- Average molar mass
- 225.16 g/mol
- Monoisotopic mass
- 224.084704
Names & identifiers
- Preferred name
- Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride
- IUPAC
- 3-[butyl(2-chloroethyl)amino]propanenitrile;hydrochloride
Names & synonyms
52337-92-5Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride3-(Butyl(2-chloroethyl)amino)propanenitrile monohydrochlorideDTXSID202003683-[Butyl(2-chloroethyl)amino]propanenitrile--hydrogen chloride (1/1)
Database identifiers
- CAS
52337-92-5- PubChem CID
- 148581
- DTXSID
DTXSID20200368
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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