N-[2-(diethylamino)ethyl]-2-(2-methyl-1,3-benzodioxol-2-yl)propanamide2-hydroxypropane-1,2,3-tricarboxylic acid

N-[2-(diethylamino)ethyl]-2-(2-methyl-1,3-benzodioxol-2-yl)propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid

CAS: 62898-47-9

Molecular Formula	`C23H34N2O10`
Molecular Weight	498.5 g/mol
Topological Polar Surface Area	183.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	498.22134
Heavy Atoms	35
Complexity	584.0

Chemical Identifiers

CAS Number	62898-47-9
SMILES	`CCN(CC)CCNC(=O)C(C)C1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O`
InChIKey	`PNONBAWRBNYEAZ-UHFFFAOYSA-N`

📖 Product Overview

N-[2-(diethylamino)ethyl]-2-(2-methyl-1,3-benzodioxol-2-yl)propanamide2-hydroxypropane-1,2,3-tricarboxylic acid (CAS: 62898-47-9) is a chemical compound with molecular formula C23H34N2O10 and molecular weight 498.5 g/mol. Its IUPAC systematic name is N-[2-(diethylamino)ethyl]-2-(2-methyl-1,3-benzodioxol-2-yl)propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid. Topological Polar Surface Area 183.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 11 Rotatable Bonds 12 Exact Mass 498.22134 Heavy Atoms 35 Complexity 584.0 InChI Key: PNONBAWRBNYEAZ-UHFFFAOYSA-N. SMILES: CCN(CC)CCNC(=O)C(C)C1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.

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