(3-methylimidazol-3-ium-1-yl)methyl dodecanoate chloride

CAS: 61413-61-4

Molecular Formula	`C17H31ClN2O2`
Molecular Weight	330.9 g/mol
Topological Polar Surface Area	35.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	13
Exact Mass	330.2074
Heavy Atoms	22
Complexity	272.0

Chemical Identifiers

CAS Number	61413-61-4
SMILES	`CCCCCCCCCCCC(=O)OCN1C=C[N+](=C1)C.[Cl-]`
InChIKey	`JNKRDWASBNZYHD-UHFFFAOYSA-M`

📖 Product Overview

(3-methylimidazol-3-ium-1-yl)methyl dodecanoate chloride (CAS: 61413-61-4) is a chemical compound with molecular formula C17H31ClN2O2 and molecular weight 330.9 g/mol. Its IUPAC systematic name is (3-methylimidazol-3-ium-1-yl)methyl dodecanoate chloride. Topological Polar Surface Area 35.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 13 Exact Mass 330.2074 Heavy Atoms 22 Complexity 272.0 InChI Key: JNKRDWASBNZYHD-UHFFFAOYSA-M. SMILES: CCCCCCCCCCCC(=O)OCN1C=C[N+](=C1)C.[Cl-].

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