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204067-08-3 molecular structure
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[1-(pyridin-2-yl)cyclohexyl]methanamine

ChemBase ID: 795930
Molecular Formular: C12H18N2
Molecular Mass: 190.28472
Monoisotopic Mass: 190.14699859
SMILES and InChIs

SMILES:
C(N)C1(CCCCC1)c1ncccc1
Canonical SMILES:
NCC1(CCCCC1)c1ccccn1
InChI:
InChI=1S/C12H18N2/c13-10-12(7-3-1-4-8-12)11-6-2-5-9-14-11/h2,5-6,9H,1,3-4,7-8,10,13H2
InChIKey:
XGYWBGLMCUFVOB-UHFFFAOYSA-N

Cite this record

CBID:795930 http://www.chembase.cn/molecule-795930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(pyridin-2-yl)cyclohexyl]methanamine
IUPAC Traditional name
[1-(pyridin-2-yl)cyclohexyl]methanamine
Synonyms
Cyclohexanemethanamine, 1-(2-pyridinyl)-
CAS Number
204067-08-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -0.80055195 
LogD (pH = 7.4) 0.29507536  Log P 2.168807 
Molar Refractivity 57.628 cm3 Polarizability 23.064766 Å3

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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