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330682-25-2 molecular structure
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4-(5-chloropyridin-3-yl)morpholine

ChemBase ID: 796469
Molecular Formular: C9H11ClN2O
Molecular Mass: 198.64944
Monoisotopic Mass: 198.05599066
SMILES and InChIs

SMILES:
C1COCCN1c1cncc(c1)Cl
Canonical SMILES:
Clc1cncc(c1)N1CCOCC1
InChI:
InChI=1S/C9H11ClN2O/c10-8-5-9(7-11-6-8)12-1-3-13-4-2-12/h5-7H,1-4H2
InChIKey:
OHLYHZIENPFJDW-UHFFFAOYSA-N

Cite this record

CBID:796469 http://www.chembase.cn/molecule-796469.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5-chloropyridin-3-yl)morpholine
IUPAC Traditional name
4-(5-chloropyridin-3-yl)morpholine
Synonyms
4-(5-Chloropyridin-3-yl)Morpholine
CAS Number
330682-25-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2946 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2946 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) 1.2428149  LogD (pH = 7.4) 1.2490809 
Log P 1.2491615  Molar Refractivity 52.209 cm3
Polarizability 19.810846 Å3 Polar Surface Area 25.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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