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1080028-76-7 molecular structure
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N-(oxan-4-yl)oxan-4-amine

ChemBase ID: 77948
Molecular Formular: C10H19NO2
Molecular Mass: 185.26336
Monoisotopic Mass: 185.14157885
SMILES and InChIs

SMILES:
N(C1CCOCC1)C1CCOCC1
Canonical SMILES:
O1CCC(CC1)NC1CCOCC1
InChI:
InChI=1S/C10H19NO2/c1-5-12-6-2-9(1)11-10-3-7-13-8-4-10/h9-11H,1-8H2
InChIKey:
WWPWWQFNGOWXOS-UHFFFAOYSA-N

Cite this record

CBID:77948 http://www.chembase.cn/molecule-77948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(oxan-4-yl)oxan-4-amine
IUPAC Traditional name
N-(oxan-4-yl)oxan-4-amine
Synonyms
N-(Tetrahydro-2H-pyran-4-yl)tetrahydro-2H-pyran-4-amine
Bis(tetrahydro-2H-pyran-4-yl)amine 97%
di(tetrahydropyran-4-yl)amine
CAS Number
1080028-76-7
MDL Number
MFCD11841081
PubChem SID
162042789
PubChem CID
33589627

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 33589627 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.5053642  LogD (pH = 7.4) -3.147016 
Log P -0.2705063  Molar Refractivity 51.6444 cm3
Polarizability 20.602833 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
74-74.1°C expand Show data source
Storage Warning
Corrosive expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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