Basic information
- CAS
91417-87-7- Standard SMILES
N#CC[N+]1=C(NCCCC(=O)O)CCC1.[Cl-]- InChIKey
BWZCPQQNZKVZBG-UHFFFAOYSA-N- Molecular formula
- C10H16ClN3O2
- Average molar mass
- 245.7 g/mol
- Monoisotopic mass
- 245.0931045
Names & identifiers
- Preferred name
- 4-((1-(Cyanomethyl)pyrrolidin-2-ylidene)amino)butanoic acid--hydrogen chloride (1/1)
- IUPAC
- 4-[[1-(cyanomethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]amino]butanoic acid chloride
Names & synonyms
91417-87-7RefChem:1069622DTXCID7013486844-((1-(Cyanomethyl)pyrrolidin-2-ylidene)amino)butanoic acid--hydrogen chloride (1/1)DTXSID60919760Butanoic acid, 4-((1-(cyanomethyl)-2-pyrrolidinylidene)amino)-, monohydrochloride1-Cyanomethyl-2-(N-(gamma-carboxypropyl))iminopyrrolidine hydrochloride4-((1-(Cyanomethyl)-2-pyrrolidinylidene)amino)butanoic acid monohydrochloride
Database identifiers
- CAS
91417-87-7- PubChem CID
- 56233
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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