Indocate

2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate

CAS: 31386-25-1

Molecular Formula	`C22H26N2O2`
Molecular Weight	350.5 g/mol
LogP	4.3
Topological Polar Surface Area	34.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	350.19943
Heavy Atoms	26
Complexity	461.0

Chemical Identifiers

CAS Number	31386-25-1
SMILES	`CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCN(C)C)CC3=CC=CC=C3)C`
InChIKey	`YKWQHMLRAPIWDP-UHFFFAOYSA-N`

📖 Product Overview

Indocate (CAS: 31386-25-1) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.5 g/mol. Its IUPAC systematic name is 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate. LogP 4.3 Topological Polar Surface Area 34.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 350.19943 Heavy Atoms 26 Complexity 461.0 InChI Key: YKWQHMLRAPIWDP-UHFFFAOYSA-N. SMILES: CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCN(C)C)CC3=CC=CC=C3)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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