3-Amino-N-(2-isopropylphenyl)benzamide
Basic information
- CAS
102630-91-1- Standard SMILES
CC(C)c1ccccc1NC(=O)c1cccc(N)c1- InChIKey
DYWMGEDCGLQXHR-UHFFFAOYSA-N- Molecular formula
- C16H18N2O
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.1419132
Names & identifiers
- Preferred name
- 3-Amino-N-(2-isopropylphenyl)benzamide
- IUPAC
- 3-amino-N-(2-propan-2-ylphenyl)benzamide
- English name
- 3-AMINO-N-(2-ISOPROPYLPHENYL)BENZAMIDE
- Molecular formula
- C16H18N2O
- Molecular weight
- 254.33
Names & synonyms
3-AMINO-N-(2-ISOPROPYLPHENYL)BENZAMIDE102630-91-13-amino-N-(2-propan-2-ylphenyl)benzamideBenzamide, 3-amino-N-[2-(1-methylethyl)phenyl]-CHEMBL284075DTXSID101259693AKOS0001561343-amino-N-[2-(propan-2-yl)phenyl]benzamide3-Amino-N-[2-(1-methylethyl)phenyl]benzamide
Database identifiers
- CAS
102630-91-1- PubChem CID
- 13660416
- DTXSID
DTXSID101259693- ChEMBL
CHEMBL284075
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 128 · 128-129 °C(Solv: benzene (71-43-2))
- Boiling point
- 355 · 355.0±35.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 13.67 · 13.67±0.70(Predicted)
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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