[2-(4-butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride

CAS: 78329-87-0

Molecular Formula	`C21H35ClN2O3`
Molecular Weight	399.0 g/mol
Topological Polar Surface Area	63.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	14
Exact Mass	398.2336
Heavy Atoms	27
Complexity	393.0

Chemical Identifiers

CAS Number	78329-87-0
SMILES	`CCCC[NH2+]CC(=O)N(CCCC)C1=CC=C(C=C1)C(=O)OCCCC.[Cl-]`
InChIKey	`PMGFSDBWIONHAB-UHFFFAOYSA-N`

📖 Product Overview

[2-(4-butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride (CAS: 78329-87-0) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 399.0 g/mol. Its IUPAC systematic name is [2-(4-butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride. Topological Polar Surface Area 63.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 14 Exact Mass 398.2336 Heavy Atoms 27 Complexity 393.0 InChI Key: PMGFSDBWIONHAB-UHFFFAOYSA-N. SMILES: CCCC[NH2+]CC(=O)N(CCCC)C1=CC=C(C=C1)C(=O)OCCCC.[Cl-].

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