Basic information
- CAS
1143-50-6- Standard SMILES
O=c1[nH]c2ccccc2c(=O)c2ccccc12- InChIKey
USJALFVAJSYMSN-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Overview
derivatives of this compound that contain 1,3,4-oxadiazole units have anti-proliferative potential
Names & identifiers
- Preferred name
- 5H-Dibenz(b,e)azepine-6,11-dione
- IUPAC
- 5H-benzo[c][1]benzazepine-6,11-dione
- English name
- 5H-Dibenzo(b,e)azepine-6,11-dione
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
5H-Dibenzo[b,e]azepine-6,11-dione1143-50-65H-Dibenz[b,e]azepine-6,11-dione5H-Dibenzo(B,E)azepine-6,11-dione5H-Dibenz(b,e)azepine-6,11-dioneT0WI39HQ1RNSC-144965DTXSID80150693RefChem:103565DTXCID8073184214-539-65H-benzo[c][1]benzazepine-6,11-dione
Show more names
5H-dibenzenebenzo[b，e]aza-6，1-dione5H-Dibenzo[b,e]azepine-6,11-dione - [D72102]
6,11(5H)-MorphanthridinedioneMFCD00612476NSC144965MLS0029206415h-dibenzo[b,e]azepin-6,11-dioneCHEMBL2422015H-dibenz(b,e]-azepine-6,11-dione5H-dibenz[b,e]-azepine-6,11-dione
Database identifiers
- CAS
1143-50-6- PubChem CID
- 70836
- DTXSID
DTXSID80150693- ChEMBL
CHEMBL242201- UNII
- T0WI39HQ1R
- EC Number
- 214-539-6
- Nikkaji
- J203.399B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 245 · 245-246 °C
- Boiling point
- 230 · 230-234 °C(Press: 0.3 Torr)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.43 · 12.43±0.20(Predicted)
- Appearance
- White to light yellow Solid
- FDA UNII
- 0 WI39HQ1R · T0WI39HQ1R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers68 total
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
68 records
Compound notes
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