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423768-55-2 molecular structure
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[2-(morpholin-4-yl)pyridin-3-yl]methanol

ChemBase ID: 80758
Molecular Formular: C10H14N2O2
Molecular Mass: 194.23036
Monoisotopic Mass: 194.1055277
SMILES and InChIs

SMILES:
N1(c2ncccc2CO)CCOCC1
Canonical SMILES:
OCc1cccnc1N1CCOCC1
InChI:
InChI=1S/C10H14N2O2/c13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12/h1-3,13H,4-8H2
InChIKey:
WESHZTWFDUKWGL-UHFFFAOYSA-N

Cite this record

CBID:80758 http://www.chembase.cn/molecule-80758.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(morpholin-4-yl)pyridin-3-yl]methanol
IUPAC Traditional name
[2-(morpholin-4-yl)pyridin-3-yl]methanol
Synonyms
(2-morpholino-3-pyridinyl)methanol
[2-(Morpholin-4-yl)pyridin-3-yl]methanol
3-(Hydroxymethyl)-2-(morpholin-4-yl)pyridine
CAS Number
423768-55-2
MDL Number
MFCD03086196
PubChem SID
162067878
PubChem CID
2776571

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776571 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.645116  H Acceptors
H Donor LogD (pH = 5.5) -0.13553293 
LogD (pH = 7.4) 0.45405018  Log P 0.47222456 
Molar Refractivity 54.5336 cm3 Polarizability 20.36658 Å3
Polar Surface Area 45.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
78-83°C expand Show data source
Storage Warning
Irritant/Air Sensitive/Store under Argon 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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