4-(trifluoromethyl)cyclohexanamine;hydrochloride - ≥97% , CAS No.1087351-49-2

CAS: 1087351-49-2 Cat. No.: C626809 分子式: C₇H₁₂NF₃·HCl 分子量: 203.63 EC番号: 843-582-9,855-344-1 PubChem CID: 18769922

GRADE & PURITY ≥97%

Synonyms

2089630-84-0 | A3716 | 1218943-32-8 | PS-17401 | SB73731 | SCHEMBL1671814 | 4-(trifluoromethyl)cyclohexan-1-amine hydrochloride | 4-Trifluoromethylcyclohexylamine hydrochloride | FT-0774688 | MFCD26954732 | SCHEMBL1671816 | EN300-718015 | SB33831 | Z44378

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

2089630-84-0 | A3716 | 1218943-32-8 | PS-17401 | SB73731 | SCHEMBL1671814 | 4-(trifluoromethyl)cyclohexan-1-amine hydrochloride | 4-Trifluoromethylcyclohexylamine hydrochloride | FT-0774688 | MFCD26954732 | SCHEMBL1671816 | EN300-718015 | SB33831 | Z44378

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

カノニカル・スマイル

C1CC(CCC1C(F)(F)F)N.Cl

IUPAC Name

4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

InChIKey

XGJNSCILISPYRX-UHFFFAOYSA-N

INCHI

1S/C7H12F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h5-6H,1-4,11H2;1H

異性体SMILES

C1CC(CCC1C(F)(F)F)N.Cl

代替CAS番号

1218943-32-8,2089630-84-0

PubChem CID

18769922

分子量

203.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

化学的性質と物理的性質

• 分子量: 203.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 203.069 Da
• Monoisotopic Mass: 203.069 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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

XLogP3