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24255-25-2 molecular structure
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4-(pyridin-2-yl)morpholine

ChemBase ID: 150950
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
c1ccnc(c1)N1CCOCC1
Canonical SMILES:
O1CCN(CC1)c1ccccn1
InChI:
InChI=1S/C9H12N2O/c1-2-4-10-9(3-1)11-5-7-12-8-6-11/h1-4H,5-8H2
InChIKey:
XHPVOSNOIWGRQQ-UHFFFAOYSA-N

Cite this record

CBID:150950 http://www.chembase.cn/molecule-150950.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(pyridin-2-yl)morpholine
IUPAC Traditional name
4-(pyridin-2-yl)morpholine
Synonyms
2-Morpholinopyridine
2-吗啉基吡啶
CAS Number
24255-25-2
MDL Number
MFCD01143321
PubChem SID
24881640
162245109
PubChem CID
10964853

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
596612 external link Add to cart Please log in.
Data Source Data ID
PubChem 10964853 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.38660598  LogD (pH = 7.4) 1.1994902 
Log P 1.2395743  Molar Refractivity 47.7177 cm3
Polarizability 17.897036 Å3 Polar Surface Area 25.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
135 °C/20 mmHg(lit.) expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
96% expand Show data source
Empirical Formula (Hill Notation)
C9H12N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 596612 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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