Name: N-(4-Bromobenzyl)cyclohexanamine, HCl - ≥95% , CAS No.1158371-88-0
SKU: N179733
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Cyclohexylamines Bromobenzenes Aralkylamines Aryl bromides Dialkylamines Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - Cyclohexylamine - Halobenzene - Aryl bromide - Aryl halide - Secondary amine - Secondary aliphatic amine - Organonitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	304.650 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	303.039 Da
Monoisotopic Mass	303.039 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	169.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Lösungsrechner

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Bewertungen

Kanonisches Lächeln	C1CCC(CC1)NCC2=CC=C(C=C2)Br.Cl
IUPAC Name	N-[(4-bromophenyl)methyl]cyclohexanamine;hydrochloride
InChIKey	RBWGDOOIQMPBDU-UHFFFAOYSA-N
INCHI	1S/C13H18BrN.ClH/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;/h6-9,13,15H,1-5,10H2;1H
Isomere SMILES	C1CCC(CC1)NCC2=CC=C(C=C2)Br.Cl
PubChem CID	17295932
Molekulargewicht	304.7

N-(4-Bromobenzyl)cyclohexanamine, HCl - ≥95% , CAS No.1158371-88-0

Specifications