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200064-39-7 molecular structure
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4-(3-bromopyridin-4-yl)morpholine

ChemBase ID: 797321
Molecular Formular: C9H11BrN2O
Molecular Mass: 243.10044
Monoisotopic Mass: 242.00547498
SMILES and InChIs

SMILES:
C1COCCN1c1c(cncc1)Br
Canonical SMILES:
Brc1cnccc1N1CCOCC1
InChI:
InChI=1S/C9H11BrN2O/c10-8-7-11-2-1-9(8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
InChIKey:
BAWWNTFBRLFENB-UHFFFAOYSA-N

Cite this record

CBID:797321 http://www.chembase.cn/molecule-797321.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-bromopyridin-4-yl)morpholine
IUPAC Traditional name
4-(3-bromopyridin-4-yl)morpholine
Synonyms
4-(3-BroMopyridin-4-yl)Morpholine
CAS Number
200064-39-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6797 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6797 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) 0.5149124  LogD (pH = 7.4) 1.2637857 
Log P 1.4138694  Molar Refractivity 55.027 cm3
Polarizability 20.762817 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

INTERNET

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