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1142194-28-2 molecular structure
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4-bromo-N,N-diethylpyridin-2-amine

ChemBase ID: 290610
Molecular Formular: C9H13BrN2
Molecular Mass: 229.11692
Monoisotopic Mass: 228.02621043
SMILES and InChIs

SMILES:
CCN(CC)c1nccc(Br)c1
Canonical SMILES:
CCN(c1nccc(c1)Br)CC
InChI:
InChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-8(10)5-6-11-9/h5-7H,3-4H2,1-2H3
InChIKey:
RPWJQOUHBJCQCA-UHFFFAOYSA-N

Cite this record

CBID:290610 http://www.chembase.cn/molecule-290610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-N,N-diethylpyridin-2-amine
IUPAC Traditional name
4-bromo-N,N-diethylpyridin-2-amine
Synonyms
4-Bromo-N,N-diethylpyridin-2-amine
CAS Number
1142194-28-2
PubChem SID
180676141
PubChem CID
45787900

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229833 Please log in.
Data Source Data ID
PubChem 45787900 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.7296367 
LogD (pH = 7.4) 2.9369693  Log P 2.9404433 
Molar Refractivity 55.7632 cm3 Polarizability 20.698475 Å3
Polar Surface Area 16.13 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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