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1204-41-7 molecular structure
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4-(2-methylphenyl)aniline

ChemBase ID: 310417
Molecular Formular: C13H13N
Molecular Mass: 183.24902
Monoisotopic Mass: 183.10479942
SMILES and InChIs

SMILES:
c1(c2ccc(N)cc2)c(C)cccc1
Canonical SMILES:
Nc1ccc(cc1)c1ccccc1C
InChI:
InChI=1S/C13H13N/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,14H2,1H3
InChIKey:
QBYQOTZDHUGJAZ-UHFFFAOYSA-N

Cite this record

CBID:310417 http://www.chembase.cn/molecule-310417.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-methylphenyl)aniline
IUPAC Traditional name
4-(2-methylphenyl)aniline
Synonyms
(2'-methylbiphenyl-4-yl)amine
CAS Number
1204-41-7
MDL Number
MFCD01740419

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.27746  LogD (pH = 7.4) 3.304609 
Log P 3.3049667  Molar Refractivity 60.9358 cm3
Polarizability 24.355463 Å3 Polar Surface Area 26.02 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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