Basic information
- CAS
23915-73-3- Standard SMILES
CC1Oc2ccccc2CC1N(C)C- InChIKey
FDJAKSHVOONYHX-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Trebenzomine
- IUPAC
- N,N,2-trimethyl-3,4-dihydro-2H-chromen-3-amine
- English name
- Trebenzomine
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
Trebenzomine23915-73-3TrebenzominaTrebenzominumCI-686E26GV7524F2H-1-BENZOPYRAN-3-AMINE, 3,4-DIHYDRO-N,N,2-TRIMETHYL-RefChem:190705DTXCID1015159823,4-dihydro-N,N,2-trimethyl-2H-1-benzopyran-3-amine, hydrochlorideDTXSID701030920Trebenzomine [INN]
Show more names
3,4-Dihydro-3-(dimethylamino)-2-methyl-2H-1-benzopyran
N,N,2-trimethyl-3,4-dihydro-2H-chromen-3-amineN,N,2-TRIMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-AMINECI 686N,N,2-Trimethyl-3-chromanamine3,4-Dihydro-N,N,2-trimethyl-2H-1-benzopyran-3-amineTrebenzomina [Spanish]Trebenzominum [INN-Latin]Trebenzomina [INN-Spanish]
Database identifiers
- CAS
23915-73-3- PubChem CID
- 32142
- ChEMBL
CHEMBL2111184- UNII
- E26GV7524F
- EC Number
- 109-851-3
- Nikkaji
- J55.473A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 276.7 · 276.7±29.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.40(Predicted)
- FDA UNII
- 26 GV7524F · E26GV7524F
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
UsesTrebenzomine (CI-686 free base) is a centrally acting psychotropic compound. Trebenzomine has both neuroleptic and stimulant activity. Trebenzomine potentiates Methamphetamine-induced self-stimulation. Trebenzomine reduces septal hyperirritability, suppression of conditioned avoidance behavior, blocks Apomorphine (HY-12723)-induced emesis in dogs[1].
Suppliers4 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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