Basic information
- CAS
170893-64-8- Standard SMILES
Nc1ccc(C(=O)c2ccncc2)cc1- InChIKey
FFVZARAUVKUVRN-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Names & identifiers
- Preferred name
- (4-Aminophenyl)(pyridin-4-yl)methanone
- IUPAC
- (4-aminophenyl)-pyridin-4-ylmethanone
- English name
- (4-Aminophenyl)-4-pyridinyl-methanone
- Molecular formula
- C12H10N2O
- Molecular weight
- 198.22
Names & synonyms
(4-Aminophenyl)(pyridin-4-yl)methanone170893-64-8DTXSID60350775RefChem:208560DTXCID00301842FFVZARAUVKUVRN-UHFFFAOYSA-N(4-aminophenyl)-pyridin-4-ylmethanone(4-aminophenyl)-4-pyridinyl-methanone4-(PYRIDINE-4-CARBONYL)ANILINEMFCD017973834-aminophenyl 4-pyridyl ketoneMethanone, (4-aminophenyl)-4-pyridinyl-
Show more names
(4-Aminophenyl-4-Py
(4-AMINOPHENYL)-PYRIDIN-4-YL-METHANONEOprea1_636495SCHEMBL177830CHEMBL353697ALBB-026016(4-Aminophenyl)(4-pyridyl)methanoneSBB002580STK734624
Database identifiers
- CAS
170893-64-8- PubChem CID
- 687983
- DTXSID
DTXSID60350775- ChEMBL
CHEMBL353697- Nikkaji
- J3.708.575H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 400.9 · 400.9±25.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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