Basic information
- CAS
1016796-09-0- Standard SMILES
COc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1- InChIKey
QSFKSTOQXQDXKY-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- N-(3-Amino-4-methylphenyl)-4-methoxybenzamide
- IUPAC
- N-(3-amino-4-methylphenyl)-4-methoxybenzamide
- English name
- N-(3-amino-4-methylphenyl)-4-methoxybenzamide
- Molecular formula
- C15H16N2O2
- Molecular weight
- 256.3
Names & synonyms
N-(3-AMINO-4-METHYLPHENYL)-4-METHOXYBENZAMIDE1016796-09-0AKOS000176681Benzamide, N-(3-amino-4-methylphenyl)-4-methoxy-
Database identifiers
- CAS
1016796-09-0- PubChem CID
- 24697698
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 370.7 · 370.7±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 13.35 · 13.35±0.70(Predicted)
- 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_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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