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367281-02-5 molecular structure
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2-cyclohexylpyrrolidine

ChemBase ID: 76074
Molecular Formular: C10H19N
Molecular Mass: 153.26456
Monoisotopic Mass: 153.15174961
SMILES and InChIs

SMILES:
N1C(C2CCCCC2)CCC1
Canonical SMILES:
C1CCC(CC1)C1CCCN1
InChI:
InChI=1S/C10H19N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h9-11H,1-8H2
InChIKey:
KRDXTHSSNCTAGY-UHFFFAOYSA-N

Cite this record

CBID:76074 http://www.chembase.cn/molecule-76074.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclohexylpyrrolidine
IUPAC Traditional name
2-cyclohexylpyrrolidine
Synonyms
2-Cyclohexylpyrrolidine
CAS Number
367281-02-5
MDL Number
MFCD01631841
PubChem SID
162040992
PubChem CID
4637746

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4637746 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8545263  LogD (pH = 7.4) -0.815149 
Log P 2.3869693  Molar Refractivity 47.6496 cm3
Polarizability 19.244478 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.926 expand Show data source
Storage Warning
Irritant 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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