4-Bromocyclohexanamine hydrochloride - ≥95%,Mixture of isomers , CAS No.99337-81-2

CAS: 99337-81-2 Cat. No.: B196159 Formule: C₆H₁₃BrClN Poids moléculaire: 214.53 PubChem CID: 13473343

QUALITÉ & PURETÉ ≥95%, Mixture of isomers

Synonyms

SCHEMBL10811096 | 4-Bromocyclohexanamine hydrochloride | AKOS016002211 | FD10595 | A858476 | ZDA33781 | 4-Bromocyclohexanaminehydrochloride | DS-14821 | 4-BROMOCYCLOHEXAN-1-AMINE HCL | 4-Bromocyclohexan-1-amine;hydrochloride | SCHEMBL10811091 | MFCD147050

Storage

Room temperature,Argon charged

Shipped In

Normal

Spécifications

Synonymes

SCHEMBL10811096 | 4-Bromocyclohexanamine hydrochloride | AKOS016002211 | FD10595 | A858476 | ZDA33781 | 4-Bromocyclohexanaminehydrochloride | DS-14821 | 4-BROMOCYCLOHEXAN-1-AMINE HCL | 4-Bromocyclohexan-1-amine;hydrochloride | SCHEMBL10811091 | MFCD147050

Spécifications et pureté

≥95%,Mixture of isomers

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥95%

Product Line

B196159-50mg

Noms et identifiants

Sourires canoniques

C1CC(CCC1N)Br.Cl

IUPAC Name

4-bromocyclohexan-1-amine;hydrochloride

InChIKey

PECMAHZPJIYUNR-UHFFFAOYSA-N

INCHI

1S/C6H12BrN.ClH/c7-5-1-3-6(8)4-2-5;/h5-6H,1-4,8H2;1H

Isomères SMILES

C1CC(CCC1N)Br.Cl

PubChem CID

13473343

Poids moléculaire

214.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Cyclohexylamines Organobromides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Cyclohexylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organobromide - Primary aliphatic amine - Amine - Alkyl bromide - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• 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: 214.530 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 212.992 Da
• Monoisotopic Mass: 212.992 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 66.900
• 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

XLogP3