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219121-62-7 molecular structure
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2-phenylpyridin-3-amine hydrochloride

ChemBase ID: 243400
Molecular Formular: C11H11ClN2
Molecular Mass: 206.67144
Monoisotopic Mass: 206.06107604
SMILES and InChIs

SMILES:
c1(ncccc1N)c1ccccc1.Cl
Canonical SMILES:
Nc1cccnc1c1ccccc1.Cl
InChI:
InChI=1S/C11H10N2.ClH/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9;/h1-8H,12H2;1H
InChIKey:
WUUPIONDVKXCBK-UHFFFAOYSA-N

Cite this record

CBID:243400 http://www.chembase.cn/molecule-243400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylpyridin-3-amine hydrochloride
IUPAC Traditional name
2-phenylpyridin-3-amine hydrochloride
Synonyms
2-phenylpyridin-3-amine hydrochloride
2-Phenyl-pyridin-3-ylamine hydrochloride
CAS Number
219121-62-7
MDL Number
MFCD03839820
PubChem SID
164299310
PubChem CID
2762783

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2762783 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8402177  LogD (pH = 7.4) 1.9579747 
Log P 1.9597231  Molar Refractivity 53.3657 cm3
Polarizability 21.62622 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
204 - 206°C expand Show data source
Hydrophobicity(logP)
2.416 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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