5,6,7,8-Tetrahydronaphtho[2,3-d][1,3]dioxol-6-amine
Basic information
- CAS
101625-35-8- Standard SMILES
NC1CCc2cc3c(cc2C1)OCO3- InChIKey
AWSBQWZZLBPUQH-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydronaphtho[2,3-d][1,3]dioxol-6-amine
- IUPAC
- 5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-amine
- English name
- MDAT
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
101625-35-85,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-amineMDAT5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-amine6,7-Methylenedioxy-2-aminotetralin5,6,7,8-Tetrahydronaphtho[2,3-d]-1,3-dioxol-6-amine28IR5LC41QNaphtho[2,3-d]-1,3-dioxol-6-amine, 5,6,7,8-tetrahydro-5,6,7,8-TETRAHYDRONAPHTHO(2,3-D)-1,3-DIOXOL-6-AMINENAPHTHO(2,3-D)-1,3-DIOXOL-6-AMINE, 5,6,7,8-TETRAHYDRO-MethylenedioxyaminotetralinUNII-28IR5LC41Q
Show more names
Labetalol Hydrochloride Impurity 24
5,6,7,8-Tetrahydrobenzo(f)(1,3)benzodioxol-7-amineCHEMBL163804SCHEMBL19816809DTXSID501017047AKOS006321884DB-332747NS00100954Q6715121
Database identifiers
- CAS
101625-35-8- PubChem CID
- 36483
- DTXSID
DTXSID501017047- ChEMBL
CHEMBL163804- UNII
- 28IR5LC41Q
- Nikkaji
- J265.267F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 331.7 · 331.7±31.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.20(Predicted)
- FDA UNII
- 28 IR5LC41Q · 28IR5LC41Q
Chemistry & industry
Applications
Uses5,6,7,8-Tetrahydronaphtho[2,3-d]-1,3-dioxol-6-amine is a condensation byproduct of Labetalol (L096495). 5,6,7,8-Tetrahydronaphtho[2,3-d]-1,3-dioxol-6-amine was evaluated for potential antihypertensive activity and was found to be as active as labetalol as α1-antagonists, but were substantially weaker β1-antagonists.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…