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6318-71-4 molecular structure
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4-[2-(pyridin-2-yl)ethyl]aniline

ChemBase ID: 308750
Molecular Formular: C13H14N2
Molecular Mass: 198.26366
Monoisotopic Mass: 198.11569846
SMILES and InChIs

SMILES:
n1c(CCc2ccc(N)cc2)cccc1
Canonical SMILES:
Nc1ccc(cc1)CCc1ccccn1
InChI:
InChI=1S/C13H14N2/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13/h1-5,7-8,10H,6,9,14H2
InChIKey:
JLXIKRWYUBIXPX-UHFFFAOYSA-N

Cite this record

CBID:308750 http://www.chembase.cn/molecule-308750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(pyridin-2-yl)ethyl]aniline
IUPAC Traditional name
4-[2-(pyridin-2-yl)ethyl]aniline
Synonyms
4-[2-(2-pyridinyl)ethyl]aniline
CAS Number
6318-71-4
MDL Number
MFCD10037578

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9618579  LogD (pH = 7.4) 2.3299196 
Log P 2.336926  Molar Refractivity 62.5159 cm3
Polarizability 23.726913 Å3 Polar Surface Area 38.91 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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