Basic information
- CAS
13629-82-8- Standard SMILES
Cc1cccc(-c2ccc(N)c(C)c2)c1- InChIKey
BVXLFLQATMVEKU-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Names & identifiers
- Preferred name
- 4-Biphenylamine, 3,3'-dimethyl-
- IUPAC
- 2-methyl-4-(3-methylphenyl)aniline
- English name
- 3,3'-Dimethyl-4-(1,1'-biphenyl)amine
- Molecular formula
- C14H15N
- Molecular weight
- 197.28
Names & synonyms
2-methyl-4-(3-methylphenyl)aniline13629-82-84-BIPHENYLAMINE, 3,3'-DIMETHYL-3,3'-dimethyl-[1,1'-biphenyl]-4-amine3,3/'-Dimethyl-4-(1,1/'-biphenyl)amineBRN 28315933,3'-Dimethyl-4-aminobiphenyl3,3'-Dimethyl-4-aminodiphenyl3,3'-Dimethyl-4-biphenylamine4-Amino-3,3'-dimethyl-biphenyl4-12-00-03330 (Beilstein Handbook Reference)SCHEMBL11514119
Show more names
3,3'-Dimethyl-4-(1,1'-biphenyl)amine[1,1'-Biphenyl]-4-amine, 3,3'-dimethyl-
SCHEMBL25261675SCHEMBL29943184DTXSID90159758AKOS0041171433,3'-Dimethyl[1,1'-biphenyl]-4-amineH90496
Database identifiers
- CAS
13629-82-8- PubChem CID
- 26151
- DTXSID
DTXSID90159758- Nikkaji
- J36.108I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 324.39 °C · 324.39°C (rough estimate)
- Density
- 1.0514 · 1.0514 (rough estimate)
- refractive index
- 1.605 · 1.6050 (estimate)
Chemistry & industry
Suppliers2 total
上海林栎生物科技有限公司13761635123 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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