Basic information
- CAS
1189706-86-2- Standard SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)c1ccccc1N2- InChIKey
VSZGCLXGCOECAY-DNZPNURCSA-N- Molecular formula
- C14H11NO
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.10917096
Names & identifiers
- Preferred name
- Dibenzazepinone-d4
- IUPAC
- 1,2,3,4-tetradeuterio-5,11-dihydrobenzo[b][1]benzazepin-6-one
- English name
- Dibenzazepinone-d4
- Molecular formula
- C14H5D4NO
- Molecular weight
- 211.252007112
Names & synonyms
Dibenzazepinone-d41189706-86-21,2,3,4-tetradeuterio-5,11-dihydrobenzo[b][1]benzazepin-6-oneDTXSID50661903(1,2,3,4-~2~H_4_)-5,11-Dihydro-10H-dibenzo[b,f]azepin-10-oneDibenzazepinone-d4 (Major)5,11-Dihydro-10H-dibenz[b,f]azepin-10-one-d45,11-Dihydro-10H-dibenzo[b,f]azepin-10-one-1,2,3,4-d4
Database identifiers
- CAS
1189706-86-2- PubChem CID
- 45038941
- DTXSID
DTXSID50661903
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 137 · 137-139°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Yellow to Orange
Chemistry & industry
Applications
UsesDibenzazepinone-d4 (cas# 1189706-86-2) is a compound useful in organic synthesis.
Suppliers7 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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