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87109-10-2 molecular structure
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3-phenylpyridin-2-amine

ChemBase ID: 67528
Molecular Formular: C11H10N2
Molecular Mass: 170.2105
Monoisotopic Mass: 170.08439833
SMILES and InChIs

SMILES:
Nc1c(cccn1)c1ccccc1
Canonical SMILES:
Nc1ncccc1c1ccccc1
InChI:
InChI=1S/C11H10N2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H,(H2,12,13)
InChIKey:
OJXNUAWQULNUCP-UHFFFAOYSA-N

Cite this record

CBID:67528 http://www.chembase.cn/molecule-67528.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenylpyridin-2-amine
IUPAC Traditional name
3-phenylpyridin-2-amine
Synonyms
3-Phenylpyridin-2-ylamine
3-PHENYL-PYRIDIN-2-YLAMINE
3-phenylpyridin-2-amine
CAS Number
87109-10-2
MDL Number
MFCD04114119
PubChem SID
162033263
PubChem CID
2762795

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2440299  LogD (pH = 7.4) 2.1178539 
Log P 2.1683304  Molar Refractivity 54.0512 cm3
Polarizability 21.624125 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
103 - 105°C expand Show data source
Hydrophobicity(logP)
2.206 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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