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

CAS: 1087351-49-2 Cat. No.: C626809 분자식: C₇H₁₂NF₃·HCl 분자량: 203.63 EC 번호: 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

동의어

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

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: C1CC(CCC1C(F)(F)F)N.Cl
• 대체 CAS: 1218943-32-8,2089630-84-0
• PubChem CID: 18769922
• 분자량: 203.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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