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62261-58-9 molecular structure
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3-(3,4-dimethylbenzoyl)aniline

ChemBase ID: 310685
Molecular Formular: C15H15NO
Molecular Mass: 225.2857
Monoisotopic Mass: 225.11536411
SMILES and InChIs

SMILES:
C(=O)(c1cc(c(cc1)C)C)c1cc(N)ccc1
Canonical SMILES:
Nc1cccc(c1)C(=O)c1ccc(c(c1)C)C
InChI:
InChI=1S/C15H15NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h3-9H,16H2,1-2H3
InChIKey:
OLVMPYGFMSAMBB-UHFFFAOYSA-N

Cite this record

CBID:310685 http://www.chembase.cn/molecule-310685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3,4-dimethylbenzoyl)aniline
IUPAC Traditional name
3-(3,4-dimethylbenzoyl)aniline
Synonyms
(3-aminophenyl)(3,4-dimethylphenyl)methanone
CAS Number
62261-58-9
MDL Number
MFCD00446980

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) 3.6276681  LogD (pH = 7.4) 3.6304798 
Log P 3.6305156  Molar Refractivity 71.4163 cm3
Polarizability 26.677206 Å3 Polar Surface Area 43.09 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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