Basic information
- CAS
2184-00-1- Standard SMILES
O=C1Cc2ccccc2CC(=O)N1- InChIKey
VAZUVSAEURIXET-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 1H-3-benzazepine-2,4(3H,5H)-dione
- IUPAC
- 1,5-dihydro-3-benzazepine-2,4-dione
- English name
- BENZENEDIACETIMIDE
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
2184-00-11H-3-benzazepine-2,4(3H,5H)-dioneDTXSID60353423RefChem:237330DTXCID70304486BENZENEDIACETIMIDE1,5-dihydro-3-benzazepine-2,4-dione1H-benzo[d]azepine-2,4(3H,5H)-dione1,5-Dihydro-2H-benzo[d]azepine-2,4(3H)-dione1,5-Dihydro-benzo[d]azepine-2,4-dioneSCHEMBL2313287VAZUVSAEURIXET-UHFFFAOYSA-N
Show more names
HMS1676J18STK009761AKOS0006501801H,3H,5H-benzo[d]azepine-2,4-dioneCS-0358053ST502682901,3,4,5-tetrahydro-2H-3-benzazepin-2,4-dioneSR-01000472348
Database identifiers
- CAS
2184-00-1- PubChem CID
- 740539
- DTXSID
DTXSID60353423- Nikkaji
- J1.092.291G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 191 · 191-192 °C
- Boiling point
- 399 · 399.0±31.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 11.73 · 11.73±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
Related reactions
6 records
Compound notes
Loading…