2-(2-(2-Nitrophenyl)vinyl)-2,3-dihydro-1H-perimidine
Basic information
- CAS
315230-93-4- Standard SMILES
O=[N+]([O-])c1ccccc1/C=C/C1Nc2cccc3cccc(c23)N1- InChIKey
CAQBSYMXCGBEHR-VAWYXSNFSA-N- Molecular formula
- C19H15N3O2
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.11642673
Names & identifiers
- Preferred name
- 2-(2-(2-Nitrophenyl)vinyl)-2,3-dihydro-1H-perimidine
- IUPAC
- 2-[(E)-2-(2-nitrophenyl)ethenyl]-2,3-dihydro-1H-perimidine
- English name
- 2-(2-(2-Nitrophenyl)vinyl)-2,3-dihydro-1H-perimidine
- Molecular formula
- C19H15N3O2
- Molecular weight
- 317.34
Names & synonyms
Oprea1_540724MLS003128309AKOS000555073SMR001836353ST072647SR-01000439020SR-01000439020-1Z567967062-[(1E)-2-(2-nitrophenyl)vinyl]-2,3-dihydroperimidine2-(2-(2-NITROPHENYL)VINYL)-2,3-DIHYDRO-1H-PERIMIDINE1H-Perimidine, 2,3-dihydro-2-[2-(2-nitrophenyl)ethenyl]-
Database identifiers
- CAS
315230-93-4- PubChem CID
- 761635
- EC Number
- 132-333-3
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 592.402 · 592.402±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.325 · 3.325±0.40(predicted)
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Compound notes
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