Benzonitrile, 2-amino-3-bromo-5-(2-(tert-butylamino)-1-hydroxyethyl)-, hydrochloride

[2-(4-amino-3-bromo-5-cyanophenyl)-2-hydroxyethyl]-tert-butylazanium chloride

CAS: 56795-29-0

Molecular Formula	`C13H19BrClN3O`
Molecular Weight	348.66 g/mol
Topological Polar Surface Area	86.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	347.04
Heavy Atoms	19
Complexity	320.0

Chemical Identifiers

CAS Number	56795-29-0
SMILES	`CC(C)(C)[NH2+]CC(C1=CC(=C(C(=C1)Br)N)C#N)O.[Cl-]`
InChIKey	`CNRVBHZYPJXYDD-UHFFFAOYSA-N`

📖 Product Overview

Benzonitrile, 2-amino-3-bromo-5-(2-(tert-butylamino)-1-hydroxyethyl)-, hydrochloride (CAS: 56795-29-0) is a chemical compound with molecular formula C13H19BrClN3O and molecular weight 348.66 g/mol. Its IUPAC systematic name is [2-(4-amino-3-bromo-5-cyanophenyl)-2-hydroxyethyl]-tert-butylazanium chloride. Topological Polar Surface Area 86.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 347.04 Heavy Atoms 19 Complexity 320.0 InChI Key: CNRVBHZYPJXYDD-UHFFFAOYSA-N. SMILES: CC(C)(C)[NH2+]CC(C1=CC(=C(C(=C1)Br)N)C#N)O.[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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