Basic information
- CAS
146-36-1- Standard SMILES
C=CCN1Cc2ccccc2-c2ccccc2C1- InChIKey
NYGHGTMKALXFIA-UHFFFAOYSA-N- Molecular formula
- C17H17N
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.13609955
Overview
Azapetine is a benzazepine.
Names & identifiers
- Preferred name
- Azapetine
- IUPAC
- 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
- English name
- 6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine
- Molecular formula
- C17H17N
- Molecular weight
- 235.32
Names & synonyms
Azapetine146-36-1Azapeptine6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepine5H-DIBENZ(c,e)AZEPINE, 6-ALLYL-6,7-DIHYDRO-9TTR0UA2KC6-allyl-6,7-dihydro-5H-dibenz[c,e]azepineDTXSID501632505H-Dibenz(c,e)azepine, 6,7-dihydro-6-(2-propenyl)-5H-Dibenz[c,e]azepine, 6,7-dihydro-6-(2-propenyl)-5H-Dibenz[c,e]azepine, 6-allyl-6,7-dihydro-RefChem:916573
Show more names
6,7-Dihydro-6-(2-propenyl)-5H-dibenz[c,e]azepine5H-Dibenz[c,e]azepine, 6,7-dihydro-6-(2-propen-1-yl)-
DTXCID00857416,7-Dihydro-6-(2-propen-1-yl)-5H-dibenz(c,e)azepine9-(prop-2-en-1-yl)-9-azatricyclo(9.4.0.0^(2,7))pentadeca-1(15),2,4,6,11,13-hexaene205-667-3Ilidar BaseAzapetina6-Allyl-6,7-dihydro-5H-dibenzo[c,E]azepineAzapetine [BAN]
Database identifiers
- CAS
146-36-1- PubChem CID
- 8966
- DTXSID
DTXSID50163250
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 367.72 °C · 367.72°C (rough estimate)
- Density
- 1.0554 · 1.0554 (rough estimate)
- refractive index
- 1.5515 · 1.5515 (estimate)
- color
- Oil
- FDA UNII
- 9 TTR0UA2KC · 9TTR0UA2KC
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 460 mg/kg BCFAAI 98,702,59
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
- Toxicity
- LD50 orl-mus: 460 mg/kg BCFAAI 98,702,59
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Additional notes
DefinitionChEBI: Azapetine is a benzazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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