Basic information
- CAS
63019-97-6- Standard SMILES
Cc1cc(N)ccc1-c1ccccc1- InChIKey
MHXYCLFSHMBXSD-UHFFFAOYSA-N- Molecular formula
- C13H13N
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.10479942
Names & identifiers
- Preferred name
- 3-Methyl-4-phenylaniline
- IUPAC
- 3-methyl-4-phenylaniline
- English name
- 2'-Methyl-biphenyl-4-ylamine
- Molecular formula
- C13H13N
- Molecular weight
- 183.25
Names & synonyms
3-methyl-4-phenylaniline63019-97-62-methyl-[1,1'-biphenyl]-4-amine2-Methyl-4-aminodiphenylBRN 27172704-BIPHENYLAMINE, 2-METHYL-3-methyl-4-phenyl-anilineCHEMBL310631SCHEMBL1919176DTXSID00978917MHXYCLFSHMBXSD-UHFFFAOYSA-N4-amino-2-methyl-1-phenylbenzene
Show more names
AKOS BAR-01352'-Methyl-biphenyl-4-ylamine2'-METHYL[1,1'-BIPHENYL]-4-AMINE
NCA019972-Methyl[1,1'-biphenyl]-4-amineMFCD01740418AKOS000125040CS-0233877EN300-136797G276814-12-00-03306 (Beilstein Handbook Reference)
Database identifiers
- CAS
63019-97-6- PubChem CID
- 44303
- DTXSID
DTXSID00978917- ChEMBL
CHEMBL310631- Nikkaji
- J36.159C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 306.94 °C · 306.94°C (rough estimate)
- Density
- 1.065 · 1.0650 (rough estimate)
- refractive index
- 1.5963 · 1.5963 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
5 records
Compound notes
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