BRN 0709446

N-benzyl-7-chloro-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine

CAS: 63991-69-5

Molecular Formula	`C23H20ClN3O`
Molecular Weight	389.9 g/mol
LogP	4.1
Topological Polar Surface Area	44.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	389.1295
Heavy Atoms	28
Complexity	593.0

Chemical Identifiers

CAS Number	63991-69-5
SMILES	`CN(CC1=CC=CC=C1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4`
InChIKey	`KTWONIDOBNOYMH-UHFFFAOYSA-N`

📖 Product Overview

BRN 0709446 (CAS: 63991-69-5) is a chemical compound with molecular formula C23H20ClN3O and molecular weight 389.9 g/mol. Its IUPAC systematic name is N-benzyl-7-chloro-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine. LogP 4.1 Topological Polar Surface Area 44.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 4 Exact Mass 389.1295 Heavy Atoms 28 Complexity 593.0 InChI Key: KTWONIDOBNOYMH-UHFFFAOYSA-N. SMILES: CN(CC1=CC=CC=C1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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