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1060805-63-1 molecular structure
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(4-bromopyridin-3-yl)methanamine

ChemBase ID: 798604
Molecular Formular: C6H7BrN2
Molecular Mass: 187.03718
Monoisotopic Mass: 185.97926023
SMILES and InChIs

SMILES:
C(N)c1cnccc1Br
Canonical SMILES:
NCc1cnccc1Br
InChI:
InChI=1S/C6H7BrN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H,3,8H2
InChIKey:
BCSXLCYWDRHBGE-UHFFFAOYSA-N

Cite this record

CBID:798604 http://www.chembase.cn/molecule-798604.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-bromopyridin-3-yl)methanamine
IUPAC Traditional name
(4-bromopyridin-3-yl)methanamine
Synonyms
(4-bromopyridin-3-yl)methanamine
CAS Number
1060805-63-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2394807  LogD (pH = 7.4) -0.88768 
Log P 0.65009445  Molar Refractivity 39.9973 cm3
Polarizability 15.6053095 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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