Basic information
- CAS
6047-29-6- Standard SMILES
O=C1Nc2ccccc2CCc2ccccc21- InChIKey
JZDBKFVASLJURR-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 5,6,11,12-Tetrahydrodibenz[b,f]azocin-6-one
- IUPAC
- 11,12-dihydro-5H-benzo[c][1]benzazocin-6-one
- English name
- 5,6,11,12-Tetrahydrodibenz[b,f]azocin-6-one
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
6047-29-611,12-dihydrodibenzo[b,f]azocin-6(5h)-one5,6,11,12-Tetrahydrodibenz[b,f]azocin-6-one11,12-dihydro-5H-benzo[c][1]benzazocin-6-one11,12-Dihydrodibenz[b,f]azocin-6(5H)-one2-AZatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4,6,8,13,15-hexaen-3-one5,6,11,12-Tetrahydrodibenz(b,f)azocin-6-oneDibenz[b,f]azocin-6(5H)-one, 11,12-dihydro-EH363WT422NSC-1407202-AZATRICYCLO[10.4.0.0?,?]HEXADECA-1(16),4(9),5,7,12,14-HEXAEN-3-ONE11,12-Dihydrodibenz(b,f)azocin-6(5H)-one
Show more names
DIBENZAZOCINONE5,6,11,12-Tetrahydrodibenzo[b,f]azocine-6-one5,6,11,12-Tetrahydrodibenz[b,f]azocin-6-oneDibenzazocinone
EINECS 227-942-7NSC140720MLS001359892UNII-EH363WT422SCHEMBL2086488CHEMBL1568163DTXSID20209215HMS3056L20
Database identifiers
- CAS
6047-29-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
Solubility>33.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 246 · 246-248 °C(lit.)
- Boiling point
- 364.56 °C · 364.56°C (rough estimate)
- Density
- 1.0707 · 1.0707 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 13.48 · 13.48±0.20(Predicted)
- FDA UNII
- 363 WT422 · EH363WT422
- Hazard Codes
- N
- Risk Statements
- 51 · 51/53
- Safety Statements
- 24 · 24/25-61
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 24/25-61
Chemistry & industry
Suppliers21 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Related reactions
3 records
Compound notes
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