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19992-45-1 molecular structure
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4-phenylcyclohexan-1-amine

ChemBase ID: 24821
Molecular Formular: C12H17N
Molecular Mass: 175.27008
Monoisotopic Mass: 175.13609955
SMILES and InChIs

SMILES:
C1(c2ccccc2)CCC(N)CC1
Canonical SMILES:
NC1CCC(CC1)c1ccccc1
InChI:
InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKey:
SJISCEAZUHNOMD-UHFFFAOYSA-N

Cite this record

CBID:24821 http://www.chembase.cn/molecule-24821.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenylcyclohexan-1-amine
IUPAC Traditional name
4-phenylcyclohexan-1-amine
Synonyms
4-Phenylcyclohexanamine
4-PHENYL-CYCLOHEXYLAMINE
CAS Number
19992-45-1
MDL Number
MFCD00130038
PubChem SID
160988128
PubChem CID
29897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 29897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4333022  LogD (pH = 7.4) -0.14793228 
Log P 2.5946348  Molar Refractivity 55.5766 cm3
Polarizability 22.1593 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.775 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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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