(1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)
Basic information
- CAS
101756-36-9- Standard SMILES
C[NH+]1CCC(C(C#N)C#N)CC1.[Cl-]- InChIKey
ZSRQMXPWMSHUMT-UHFFFAOYSA-N- Molecular formula
- C9H14ClN3
- Average molar mass
- 199.68 g/mol
- Monoisotopic mass
- 199.0876252
Names & identifiers
- Preferred name
- (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)
- IUPAC
- 2-(1-methylpiperidin-1-ium-4-yl)propanedinitrile chloride
Names & synonyms
101756-36-9DTXSID00906593(1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)RefChem:1049295DTXCID001335690MALONONITRILE, (1-METHYL-4-PIPERIDINYL)-, HYDROCHLORIDE, DIHYDRATE1-Methyl-delta (sup 4),alpha-piperidinemalononitrile hydrochloride dihydrate
Database identifiers
- CAS
101756-36-9- PubChem CID
- 58854
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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