Benzoic acid, 3,5-dimethyl-4-(2-(propylamino)propionamido)-, propyl ester, perchlorate

[1-(2,6-dimethyl-4-propoxycarbonylanilino)-1-oxopropan-2-yl]-propylazanium perchlorate

CAS: 3277-05-2

Molecular Formula	`C18H29ClN2O7`
Molecular Weight	420.9 g/mol
Topological Polar Surface Area	146.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	420.16632
Heavy Atoms	28
Complexity	470.0

Chemical Identifiers

CAS Number	3277-05-2
SMILES	`CCC[NH2+]C(C)C(=O)NC1=C(C=C(C=C1C)C(=O)OCCC)C.[O-]Cl(=O)(=O)=O`
InChIKey	`JPQTUKFKDBAVIX-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 3,5-dimethyl-4-(2-(propylamino)propionamido)-, propyl ester, perchlorate (CAS: 3277-05-2) is a chemical compound with molecular formula C18H29ClN2O7 and molecular weight 420.9 g/mol. Its IUPAC systematic name is [1-(2,6-dimethyl-4-propoxycarbonylanilino)-1-oxopropan-2-yl]-propylazanium perchlorate. Topological Polar Surface Area 146.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 420.16632 Heavy Atoms 28 Complexity 470.0 InChI Key: JPQTUKFKDBAVIX-UHFFFAOYSA-N. SMILES: CCC[NH2+]C(C)C(=O)NC1=C(C=C(C=C1C)C(=O)OCCC)C.[O-]Cl(=O)(=O)=O.

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