1H-Azepino(5,4,3-cd)indole-2-carboxylic acid, 3,4-dihydro-9-chloro-6-methyl-, ethyl ester, hydrochloride

ethyl 5-chloro-9-methyl-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene-2-carboxylate chloride

CAS: 4499-19-8

Molecular Formula	`C15H16Cl2N2O2`
Molecular Weight	327.2 g/mol
Topological Polar Surface Area	56.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	326.05887
Heavy Atoms	21
Complexity	426.0

Chemical Identifiers

CAS Number	4499-19-8
SMILES	`CCOC(=O)C1=C2CC[NH+]=C(C3=C2C(=C(C=C3)Cl)N1)C.[Cl-]`
InChIKey	`FLUPVAJYOFWAGP-UHFFFAOYSA-N`

📖 Product Overview

1H-Azepino(5,4,3-cd)indole-2-carboxylic acid, 3,4-dihydro-9-chloro-6-methyl-, ethyl ester, hydrochloride (CAS: 4499-19-8) is a chemical compound with molecular formula C15H16Cl2N2O2 and molecular weight 327.2 g/mol. Its IUPAC systematic name is ethyl 5-chloro-9-methyl-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene-2-carboxylate chloride. Topological Polar Surface Area 56.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 326.05887 Heavy Atoms 21 Complexity 426.0 InChI Key: FLUPVAJYOFWAGP-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C2CC[NH+]=C(C3=C2C(=C(C=C3)Cl)N1)C.[Cl-].

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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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