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3-Methyl-4-acetylaminobiphenyl

HCID 44346
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
63040-30-2
Standard SMILES
CC(=O)Nc1ccc(-c2ccccc2)cc1C
InChIKey
NWUDJMJMSSYCGT-UHFFFAOYSA-N
Molecular formula
C15H15NO
Average molar mass
225.28 g/mol
Monoisotopic mass
225.1153641

Names & identifiers

Preferred name
3-Methyl-4-acetylaminobiphenyl
IUPAC
N-(2-methyl-4-phenylphenyl)acetamide
English name
4'-Phenyl-o-acetotoluide
Molecular formula
C15H15NO
Molecular weight
225.29

Names & synonyms

N-(2-methyl-4-phenylphenyl)acetamide3-Methyl-4-acetylaminobiphenyl63040-30-2o-ACETOTOLUIDIDE, 4'-PHENYL-4'-Phenyl-o-acetotoluideBRN 2806663MFCD016734414-acetamido-3-methylbiphenylN-{3-METHYL-[1,1'-BIPHENYL]-4-YL}ACETAMIDEDTXSID10212339AKOS027470446N-(2-methyl-4-phenyl-phenyl)acetamide
Show more names
N-(4-Phenyl-2-methylphenyl)acetamideAcetamide, N-(3-methyl[1,1'-biphenyl]-4-yl)-
NS-02813N-(3-Methyl[1,1'-biphenyl]-4-yl)acetamide

Database identifiers

CAS
63040-30-2
PubChem CID
44346
DTXSID
DTXSID10212339
Nikkaji
J83.933G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
258

Physicochemical properties

Melting point
166 °C · 166 °C
Boiling point
366.8 °C · 366.8°C (rough estimate)
Density
1.0463 · 1.0463 (rough estimate)
refractive index
1.52 · 1.5200 (estimate)
pka
14.9 · 14.90±0.70(Predicted)

Chemistry & industry

Suppliers1 total

OTAVA-BB[email protected]

Related reactions

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Compound notes

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