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90437-05-1 molecular structure
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2-(pyridin-3-yl)morpholine

ChemBase ID: 115637
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
c1(C2OCCNC2)cnccc1
Canonical SMILES:
C1COC(CN1)c1cccnc1
InChI:
InChI=1S/C9H12N2O/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h1-3,6,9,11H,4-5,7H2
InChIKey:
PPUJWYHBVHJUKY-UHFFFAOYSA-N

Cite this record

CBID:115637 http://www.chembase.cn/molecule-115637.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-3-yl)morpholine
IUPAC Traditional name
2-(pyridin-3-yl)morpholine
Synonyms
2-(3-pyridinyl)morpholine
2-pyridin-3-ylmorpholine oxalate
2-(Pyridin-3-yl)Morpholine
CAS Number
90437-05-1
MDL Number
MFCD10035255
MFCD03840010
PubChem SID
162100403
PubChem CID
3818464

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3818464 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2327847  LogD (pH = 7.4) -0.50241303 
Log P 0.15518884  Molar Refractivity 45.8938 cm3
Polarizability 18.277193 Å3 Polar Surface Area 34.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.141 expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Salt Data
(COOH)2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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