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cis-4-amino-1-(trifluoromethyl)cyclohexanol - 97%, high purity , CAS No.1408076-30-1
Discover cis-4-amino-1-(trifluoromethyl)cyclohexanol by Aladdin Scientific in 97% for only $358.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
trans-4-Amino-1-(trifluoromethyl)cyclohexanol | cis-4-Amino-1-(trifluoromethyl)cyclohexanol | 1408075-09-1 | 4-amino-1-(trifluoromethyl)cyclohexan-1-ol | 1408076-30-1 | 1202411-98-0 | 4-AMINO-1-(TRIFLUOROMETHYL)CYCLOHEXANOL | Cyclohexanol, 4-amino-1-(trifluoromethyl)-,
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Secondary alcohols
Direct Parent
Cyclohexanols
Alternative Parents
Cyclohexylamines Tertiary alcohols Fluorohydrins Cyclic alcohols and derivatives Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexylamine - Cyclohexanol - Tertiary alcohol - Cyclic alcohol - Halohydrin - Fluorohydrin - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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.
Names and Identifiers
IUPAC Name
4-amino-1-(trifluoromethyl)cyclohexan-1-ol
INCHI
InChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-5(11)2-4-6/h5,12H,1-4,11H2
InChIKey
XQZKKRXYSBWMAL-UHFFFAOYSA-N
Smiles
C1CC(CCC1N)(C(F)(F)F)O
Isomeric SMILES
C1CC(CCC1N)(C(F)(F)F)O
Molecular Weight
183.174
Reaxy-Rn
19920570
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19920570&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.170 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
183.087 Da
Monoisotopic Mass
183.087 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
161.000
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
1
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