beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(diethylamino)ethyl ester, citrate (1:1)

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium

CAS: 15499-10-2

Molecular Formula	`C22H32N2O10`
Molecular Weight	484.5 g/mol
Topological Polar Surface Area	195.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	14
Exact Mass	484.2057
Heavy Atoms	34
Complexity	659.0

Chemical Identifiers

CAS Number	15499-10-2
SMILES	`CC[NH+](CC)CCOC(=O)CCNC1=CC=CC=CC1=O.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O`
InChIKey	`WIZMSHHZGYYWOE-UHFFFAOYSA-N`

📖 Product Overview

beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(diethylamino)ethyl ester, citrate (1:1) (CAS: 15499-10-2) is a chemical compound with molecular formula C22H32N2O10 and molecular weight 484.5 g/mol. Its IUPAC systematic name is 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium. Topological Polar Surface Area 195.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 11 Rotatable Bonds 14 Exact Mass 484.2057 Heavy Atoms 34 Complexity 659.0 InChI Key: WIZMSHHZGYYWOE-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOC(=O)CCNC1=CC=CC=CC1=O.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O.

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(diethylamino)ethyl ester, citrate (1:1).

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