Basic information
- CAS
16808-63-2- Standard SMILES
CC1C2Cc3ccc(O)cc3C1(C)CCN2- InChIKey
DXESFJJJWBHLJX-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- IUPAC
- 1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
- English name
- (-)-NORMETAZOCINE
- Molecular formula
- C14H19NO
- Molecular weight
- 217.31
Names & synonyms
NorcyclazocineNormetazocine16808-63-21,2,3,4,5,6-Hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-olRefChem:166648240-838-625144-78-9EINECS 240-838-6DTXSID50937433DXESFJJJWBHLJX-UHFFFAOYSA-NSCHEMBL9723521,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Show more names
(-)-Normetazocine(-)-NORMETAZOCINE1,2,3,4,5,6-hexahydro-6,11-dimethyl-6-methano-3-benzazocin-8-ol
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphanNS00085346NS000899676,11-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Database identifiers
- CAS
16808-63-2、25144-78-9- PubChem CID
- 1208
- DTXSID
DTXSID50937433- EC Number
- 240-838-6
- Nikkaji
- J186.728H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 355.8 · 355.8±42.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 9.79 · 9.79±0.60(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- WGK Germany
- 3 · 3
- REACH Registrations
- Active
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol (EC: 240-838-6)
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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