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40500-01-4 molecular structure
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2-(oxan-2-yl)ethan-1-amine

ChemBase ID: 19205
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
O1C(CCN)CCCC1
Canonical SMILES:
NCCC1CCCCO1
InChI:
InChI=1S/C7H15NO/c8-5-4-7-3-1-2-6-9-7/h7H,1-6,8H2
InChIKey:
XHMSRGDEBWJLBE-UHFFFAOYSA-N

Cite this record

CBID:19205 http://www.chembase.cn/molecule-19205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(oxan-2-yl)ethan-1-amine
IUPAC Traditional name
2-(oxan-2-yl)ethanamine
Synonyms
2-(Tetrahydro-pyran-2-yl)-ethylamine
2-(oxan-2-yl)ethan-1-amine
2-(Tetrahydro-2H-pyran-2-yl)ethanamine
CAS Number
40500-01-4
MDL Number
MFCD08273907
PubChem SID
160982512
PubChem CID
17750935

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7245915  LogD (pH = 7.4) -2.257042 
Log P 0.29765856  Molar Refractivity 37.6399 cm3
Polarizability 15.112169 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.61 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
95+% expand Show data source
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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