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1,1-Bis(4-aminophenyl)cyclohexane - 98%, high purity , CAS No.3282-99-3
Basic Description
Synonyms
4,4'-(Cyclohexane-1,1-diyl)dianiline | FT-0634757 | MLS001007147 | SR-01000207878-1 | W-106817 | 4,4'-Diaminodiphenylcyclohexane | EN300-02100 | ZSQIQUAKDNTQOI-UHFFFAOYSA-N | 4,4'-Cyclohexylidene dionline | 4-[1-(4-aminophenyl)cyclohexyl]aniline | 4-[1-(4
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylmethane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488191452
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488191452
IUPAC Name
4-[1-(4-aminophenyl)cyclohexyl]aniline
INCHI
InChI=1S/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2
InChIKey
ZSQIQUAKDNTQOI-UHFFFAOYSA-N
Smiles
C1CCC(CC1)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
Isomeric SMILES
C1CCC(CC1)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
Molecular Weight
266.39
Reaxy-Rn
411020
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=411020&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Boil Point(°C)
450.918℃ at 760mmHg
Melt Point(°C)
110℃
Molecular Weight
266.400 g/mol
XLogP3
4.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
266.178 Da
Monoisotopic Mass
266.178 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
269.000
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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