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400749-90-8 molecular structure
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3-(3-methylphenyl)aniline

ChemBase ID: 306859
Molecular Formular: C13H13N
Molecular Mass: 183.24902
Monoisotopic Mass: 183.10479942
SMILES and InChIs

SMILES:
c1(c2cc(ccc2)C)cc(N)ccc1
Canonical SMILES:
Cc1cccc(c1)c1cccc(c1)N
InChI:
InChI=1S/C13H13N/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12/h2-9H,14H2,1H3
InChIKey:
IGBRHNWAPXUJRL-UHFFFAOYSA-N

Cite this record

CBID:306859 http://www.chembase.cn/molecule-306859.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-methylphenyl)aniline
IUPAC Traditional name
3-(3-methylphenyl)aniline
Synonyms
(3'-methylbiphenyl-3-yl)amine
CAS Number
400749-90-8
MDL Number
MFCD03424664

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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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2754097  LogD (pH = 7.4) 3.3045816 
Log P 3.3049667  Molar Refractivity 60.9358 cm3
Polarizability 24.359869 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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