Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride
Basic information
- CAS
52337-90-3- Standard SMILES
CN(CCCl)CCC#N.Cl- InChIKey
ZUTFTRGJJFMSCT-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2N2
- Average molar mass
- 183.08 g/mol
- Monoisotopic mass
- 182.0377538
Names & identifiers
- Preferred name
- Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride
- IUPAC
- 3-[2-chloroethyl(methyl)amino]propanenitrile;hydrochloride
Names & synonyms
Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride52337-90-33-((2-Chloroethyl)methylamino)propanenitrile monohydrochlorideDTXSID002003663-[(2-Chloroethyl)(methyl)amino]propanenitrile--hydrogen chloride (1/1)
Database identifiers
- CAS
52337-90-3- PubChem CID
- 148577
- DTXSID
DTXSID00200366
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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