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21203-86-1 molecular structure
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2-phenylpyridin-4-amine

ChemBase ID: 70906
Molecular Formular: C11H10N2
Molecular Mass: 170.2105
Monoisotopic Mass: 170.08439833
SMILES and InChIs

SMILES:
c1(cc(ccn1)N)c1ccccc1
Canonical SMILES:
Nc1ccnc(c1)c1ccccc1
InChI:
InChI=1S/C11H10N2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
InChIKey:
CHVKPWIABFICLK-UHFFFAOYSA-N

Cite this record

CBID:70906 http://www.chembase.cn/molecule-70906.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylpyridin-4-amine
IUPAC Traditional name
2-phenylpyridin-4-amine
Synonyms
4-Amino-2-phenylpyridine
2-phenylpyridin-4-amine
CAS Number
21203-86-1
MDL Number
MFCD01646280
PubChem SID
162036614
PubChem CID
2762833

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5268721  LogD (pH = 7.4) 1.1151978 
Log P 1.9597231  Molar Refractivity 53.3657 cm3
Polarizability 21.622677 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
126 - 128°C expand Show data source
Hydrophobicity(logP)
2.416 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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