Compound C10H16ClN3O2

4-[[1-(cyanomethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]amino]butanoic acid chloride

CAS: 91417-87-7

Molecular Formula	`C10H16ClN3O2`
Molecular Weight	245.7 g/mol
Topological Polar Surface Area	76.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	245.09311
Heavy Atoms	16
Complexity	314.0

Chemical Identifiers

CAS Number	91417-87-7
SMILES	`C1CC(=[N+](C1)CC#N)NCCCC(=O)O.[Cl-]`
InChIKey	`BWZCPQQNZKVZBG-UHFFFAOYSA-N`

📖 Product Overview

Compound C10H16ClN3O2 (CAS: 91417-87-7) is a chemical compound with molecular formula C10H16ClN3O2 and molecular weight 245.7 g/mol. Its IUPAC systematic name is 4-[[1-(cyanomethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]amino]butanoic acid chloride. Topological Polar Surface Area 76.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 245.09311 Heavy Atoms 16 Complexity 314.0 InChI Key: BWZCPQQNZKVZBG-UHFFFAOYSA-N. SMILES: C1CC(=[N+](C1)CC#N)NCCCC(=O)O.[Cl-].

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