Basic information
- CAS
4904-83-0- Standard SMILES
CN1c2ccccc2CC(=O)c2ccccc21- InChIKey
WYGCMGHBEUGWNS-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 5,11-dihydro-5-methyl-10H-dibenz[b,f]azepin-10-one
- IUPAC
- 11-methyl-6H-benzo[b][1]benzazepin-5-one
- English name
- 5,11-dihydro-5-methyl-10H-dibenz[b,f]azepin-10-one
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
4904-83-05,11-dihydro-5-methyl-10H-dibenz[b,f]azepin-10-one5,11-Dihydro-5-methyl-10H-dibenz(b,f)azepin-10-oneEINECS 225-534-3DTXSID10197672RefChem:100916DTXCID70120163225-534-311-methyl-6H-benzo[b][1]benzazepin-5-one5-methyl-5,11-dihydro-10H-dibenzo[b,f]azepin-10-onestarbld0036060SCHEMBL7829086
Show more names
5-Methyl-5H-dibenzo[b,f]azepine-10(11H)-one10H-Dibenz[b,f]azepin-10-one, 5,11-dihydro-5-methyl-
10H-Dibenz[b,f]azepin-10-one,5,11-dihydro-5-methyl-AKOS024345578NS000318475-methyl-10,11-dihydro [5H] dibenzo (b,f) azepine-10-one
Database identifiers
- CAS
4904-83-0- PubChem CID
- 78620
- DTXSID
DTXSID10197672- EC Number
- 225-534-3
- Nikkaji
- J342.523A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 104 °C · 104 °C
- Boiling point
- 387.1 · 387.1±32.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- solubility
- DCM, DMSO, Ethyl Acetate
- form
- Solid
- pka
- -0.38 · -0.38±0.20(Predicted)
- color
- White
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
Uses5,11-Dihydro-5-methyl-10H-dibenz[b,f]azepin-10-one is an intermediate in the synthesis of Metapramine (M225830), a norepinephrine reuptake inhibitor without affecting the reuptake of serotonin or dopamine.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
3 records
Compound notes
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