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1196154-65-0 molecular structure
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2-[2-(oxan-4-yl)pyrimidin-5-yl]ethan-1-amine hydrochloride

ChemBase ID: 815532
Molecular Formular: C11H18ClN3O
Molecular Mass: 243.73312
Monoisotopic Mass: 243.11383989
SMILES and InChIs

SMILES:
Cl.C(Cc1cnc(nc1)C1CCOCC1)N
Canonical SMILES:
NCCc1cnc(nc1)C1CCOCC1.Cl
InChI:
InChI=1S/C11H17N3O.ClH/c12-4-1-9-7-13-11(14-8-9)10-2-5-15-6-3-10;/h7-8,10H,1-6,12H2;1H
InChIKey:
VKGQBACFBHLXJH-UHFFFAOYSA-N

Cite this record

CBID:815532 http://www.chembase.cn/molecule-815532.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(oxan-4-yl)pyrimidin-5-yl]ethan-1-amine hydrochloride
IUPAC Traditional name
2-[2-(oxan-4-yl)pyrimidin-5-yl]ethanamine hydrochloride
Synonyms
2-(2-(tetrahydro-2H-pyran-4-yl)pyrimidin-5-yl)ethanamine hydrochloride
CAS Number
1196154-65-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37860 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37860 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.899207  LogD (pH = 7.4) -1.9359161 
Log P 0.26539853  Molar Refractivity 59.3258 cm3
Polarizability 22.763786 Å3 Polar Surface Area 61.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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