Basic information
- CAS
2113-54-4- Standard SMILES
CC(=O)Nc1cccc(-c2ccccc2)c1- InChIKey
IRMSAKOLFSBQJH-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(1,1'-Biphenyl)-3-ylacetamide
- IUPAC
- N-(3-phenylphenyl)acetamide
- English name
- 3-acetamidobiphenyl
- Molecular formula
- C14H13NO
- Molecular weight
- 211.26
Names & synonyms
3-Acetamidobiphenyl2113-54-4N-(1,1'-Biphenyl)-3-ylacetamideDTXSID40175362N-[1,1'-biphenyl]-3-ylacetamideRefChem:92769DTXCID2097853Acetamide, N-(1,1'-biphenyl)-3-yl-N-Acetoxy-3-aminobiphenylAcetamide, N-[1,1'-biphenyl]-3-yl-3'-Phenylacetanilide3-Acetylaminobiphenyl
Show more names
3-(Acetylamino)biphenylN-(biphenyl-3-yl)acetamideN-[1,1'-Biphenyl-3-yl]acetamide
N-(3-Biphenylyl)acetamideACETANILIDE, 3'-PHENYL-BRN 2097490SCHEMBL694904SCHEMBL731180SCHEMBL3786463SCHEMBL5547118SCHEMBL7472207
Database identifiers
- CAS
2113-54-4- PubChem CID
- 16448
- DTXSID
DTXSID40175362- Nikkaji
- J33.449I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 148 °C · 148°C
- Boiling point
- 350.95 °C · 350.95°C (rough estimate)
- Density
- 1.0694 · 1.0694 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
- pka
- 14.95 · 14.95±0.70(Predicted)
- color
- Needles from EtOH
- Toxicity
- 4200 mg/kg/35W-C:ETA · TDLo orl-rat: 4200 mg/kg/35W-C:ETA CNREA8 16,525,56
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
- Toxicity
- TDLo orl-rat: 4200 mg/kg/35W-C:ETA CNREA8 16,525,56
Chemistry & industry
Suppliers1 total
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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