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3282-99-3 molecular structure
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4-[1-(4-aminophenyl)cyclohexyl]aniline

ChemBase ID: 59152
Molecular Formular: C18H22N2
Molecular Mass: 266.38068
Monoisotopic Mass: 266.17829871
SMILES and InChIs

SMILES:
C1CCCCC1(c1ccc(cc1)N)c1ccc(cc1)N
Canonical SMILES:
Nc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N
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

Cite this record

CBID:59152 http://www.chembase.cn/molecule-59152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[1-(4-aminophenyl)cyclohexyl]aniline
IUPAC Traditional name
4-[1-(4-aminophenyl)cyclohexyl]aniline
Synonyms
{4-[1-(4-Aminophenyl)cyclohexyl]phenyl}amine
4-[1-(4-aminophenyl)cyclohexyl]aniline
CAS Number
3282-99-3
MDL Number
MFCD00035700
PubChem SID
162063915
PubChem CID
768325

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 768325 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.797449  LogD (pH = 7.4) 3.8633466 
Log P 3.8642342  Molar Refractivity 96.7149 cm3
Polarizability 32.49953 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
109 - 111°C expand Show data source
Hydrophobicity(logP)
3.866 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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