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62317-19-5 molecular structure
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1-(morpholin-4-yl)cyclopentane-1-carbonitrile

ChemBase ID: 33630
Molecular Formular: C10H16N2O
Molecular Mass: 180.24684
Monoisotopic Mass: 180.12626314
SMILES and InChIs

SMILES:
N1(C2(C#N)CCCC2)CCOCC1
Canonical SMILES:
N#CC1(CCCC1)N1CCOCC1
InChI:
InChI=1S/C10H16N2O/c11-9-10(3-1-2-4-10)12-5-7-13-8-6-12/h1-8H2
InChIKey:
FKGGDZUTOZLKTF-UHFFFAOYSA-N

Cite this record

CBID:33630 http://www.chembase.cn/molecule-33630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(morpholin-4-yl)cyclopentane-1-carbonitrile
IUPAC Traditional name
1-(morpholin-4-yl)cyclopentane-1-carbonitrile
Synonyms
1-Morpholin-4-ylcyclopentanecarbonitrile
CAS Number
62317-19-5
MDL Number
MFCD09761245
PubChem SID
160996937
PubChem CID
16644595

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16644595 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0398979  LogD (pH = 7.4) 1.0897758 
Log P 1.0904502  Molar Refractivity 50.5795 cm3
Polarizability 19.753305 Å3 Polar Surface Area 36.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
0.824 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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