N-(4-Amino-phenyl)-isonicotinamide
Basic information
- CAS
13116-08-0- Standard SMILES
Nc1ccc(NC(=O)c2ccncc2)cc1- InChIKey
UIBFGQPYFGQNJD-UHFFFAOYSA-N- Molecular formula
- C12H11N3O
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.09021198
Names & identifiers
- Preferred name
- N-(4-Amino-phenyl)-isonicotinamide
- IUPAC
- N-(4-aminophenyl)pyridine-4-carboxamide
- English name
- N-(4-Amino-phenyl)-isonicotinamide
- Molecular formula
- C12H11N3O
- Molecular weight
- 213.24
Names & synonyms
13116-08-0N-(4-Aminophenyl)isonicotinamideN-(4-Amino-phenyl)-isonicotinamideN-(4-aminophenyl)pyridine-4-carboxamideMFCD025856804-pyridinecarboxamide, N-(4-aminophenyl)-Oprea1_253735Oprea1_774289SCHEMBL3093559DTXSID80357645ALBB-012998STL507848
Show more names
AKOS BBV-008338OTAVA-BB 1166861N-(4-aminophenyl)-4-pyridinecarboxamide
AKOS000128085N-(4-aminophenyl)-4-pyridylcarboxamideASN 01337754DA-46191LS-04060CS-0316539ST50251439H30192
Database identifiers
- CAS
13116-08-0- PubChem CID
- 856841
- DTXSID
DTXSID80357645
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 329.4 · 329.4±22.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 11.48 · 11.48±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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