Basic information
- CAS
585517-66-4- Standard SMILES
Cc1cccc(C(=O)Nc2cccc(N)c2)c1- InChIKey
UKCPUGSGOXBKBS-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- N-(3-aminophenyl)-3-methylbenzamide
- IUPAC
- N-(3-aminophenyl)-3-methylbenzamide
- English name
- CHEMBRDG-BB 4024628
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
N-(3-aminophenyl)-3-methylbenzamide585517-66-4MFCD01806272CHEMBRDG-BB 4024628N-(3-aminophenyl)-3-methyl-benzamideOprea1_218691AKOS BBV-012738SCHEMBL14307293DTXSID10411769UKRORGSYN-BB BBV-0127383-methyl-N-(3-aminophenyl)benzamideSTK259239
Show more names
AKOS000100053Benzamide, N-(3-aminophenyl)-3-methyl-BS-38251H42971EN300-12768844F038992N-(3-aminophenyl)-3-methylbenzamide(SALTDATA: FREE)
Database identifiers
- CAS
585517-66-4- PubChem CID
- 5230760
- DTXSID
DTXSID10411769
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 337.6 · 337.6±35.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
无锡双启科技有限公司18055643310 13961675169 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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