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17766-28-8 molecular structure
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1-cyclohexylpiperazine

ChemBase ID: 74332
Molecular Formular: C10H20N2
Molecular Mass: 168.2792
Monoisotopic Mass: 168.16264865
SMILES and InChIs

SMILES:
N1CCN(C2CCCCC2)CC1
Canonical SMILES:
C1CCC(CC1)N1CCNCC1
InChI:
InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
InChIKey:
XPDSXKIDJNKIQY-UHFFFAOYSA-N

Cite this record

CBID:74332 http://www.chembase.cn/molecule-74332.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclohexylpiperazine
IUPAC Traditional name
1-cyclohexylpiperazine
Synonyms
1-Cyclohexylpiperazine
(Piperazin-1-yl)cyclohexane
1-Cyclohexylpiperazine 98%
1-Cyclohexylpiperazine
1-环己基哌嗪
CAS Number
17766-28-8
EC Number
241-750-0
MDL Number
MFCD00044809
Beilstein Number
106845
PubChem SID
162039251
24886831
PubChem CID
87298
CHEMBL
574182
Chemspider ID
78749
Wikipedia Title
1-Cyclohexylpiperazine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9884325  LogD (pH = 7.4) -1.1795415 
Log P 1.4535116  Molar Refractivity 51.7577 cm3
Polarizability 20.7646 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
29 - 31°C expand Show data source
32-34°C expand Show data source
32-37 °C expand Show data source
Hydrophobicity(logP)
1.703 expand Show data source
Storage Warning
Irritant/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Gene Information
mouse ... Htr3a(15561)rat ... Drd2(24318), Htr1a(24473) expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Impurities
≤0.5% water expand Show data source
Empirical Formula (Hill Notation)
C10H20N2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 75475 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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