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

CAS: 1158371-88-0 Cat. No.: N179733 Formule: C₁₃H₁₉BrClN Poids moléculaire: 304.7 PubChem CID: 17295932

GRADE & PURITY ≥95%

Synonyms

Benzenemethanamine, 4-bromo-N-cyclohexyl-, hydrochloride (1:1) | AKOS015843908 | N-(4-BROMOBENZYL)CYCLOHEXANAMINE, HCL | N-[(4-bromophenyl)methyl]cyclohexanamine;hydrochloride | N-(4-BROMOBENZYL)CYCLOHEXANAMINE HYDROCHLORIDE | N-(4-Bromobenzyl)cyclohexana

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Benzenemethanamine, 4-bromo-N-cyclohexyl-, hydrochloride (1:1) | AKOS015843908 | N-(4-BROMOBENZYL)CYCLOHEXANAMINE, HCL | N-[(4-bromophenyl)methyl]cyclohexanamine;hydrochloride | N-(4-BROMOBENZYL)CYCLOHEXANAMINE HYDROCHLORIDE | N-(4-Bromobenzyl)cyclohexana

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1CCC(CC1)NCC2=CC=C(C=C2)Br.Cl
• PubChem CID: 17295932
• Poids moléculaire: 304.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Data sources

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

Propriétés chimiques et physiques

• Poids moléculaire: 304.650 g/mol
• 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 Ų
• 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

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