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1280786-74-4 molecular structure
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4-bromo-N-propylpyridin-2-amine

ChemBase ID: 290613
Molecular Formular: C8H11BrN2
Molecular Mass: 215.09034
Monoisotopic Mass: 214.01056036
SMILES and InChIs

SMILES:
CCCNc1nccc(Br)c1
Canonical SMILES:
CCCNc1cc(Br)ccn1
InChI:
InChI=1S/C8H11BrN2/c1-2-4-10-8-6-7(9)3-5-11-8/h3,5-6H,2,4H2,1H3,(H,10,11)
InChIKey:
VNJNFEXFJXRNDU-UHFFFAOYSA-N

Cite this record

CBID:290613 http://www.chembase.cn/molecule-290613.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-N-propylpyridin-2-amine
IUPAC Traditional name
4-bromo-N-propylpyridin-2-amine
Synonyms
4-Bromo-N-propylpyridin-2-amine
CAS Number
1280786-74-4
PubChem SID
180676144
PubChem CID
53217440

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229836 Please log in.
Data Source Data ID
PubChem 53217440 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1806428  LogD (pH = 7.4) 2.4655573 
Log P 2.470892  Molar Refractivity 51.3038 cm3
Polarizability 18.88102 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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

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