Compound C13H18N2O2

ethyl 2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate

CAS: 87896-36-4

Molecular Formula	`C13H18N2O2`
Molecular Weight	234.29 g/mol
LogP	2.8
Topological Polar Surface Area	50.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	234.13683
Heavy Atoms	17
Complexity	270.0

Chemical Identifiers

CAS Number	87896-36-4
SMILES	`CCOC(=O)C1CC(NC2=CC=CC=C2N1)C`
InChIKey	`MGQPKIPVCPMXQF-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H18N2O2 (CAS: 87896-36-4) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.29 g/mol. Its IUPAC systematic name is ethyl 2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate. LogP 2.8 Topological Polar Surface Area 50.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 234.13683 Heavy Atoms 17 Complexity 270.0 InChI Key: MGQPKIPVCPMXQF-UHFFFAOYSA-N. SMILES: CCOC(=O)C1CC(NC2=CC=CC=C2N1)C.

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