1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine
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Basic information
- CAS
381191-92-0- Standard SMILES
CNC(C)c1ccc2c(c1)OCCO2- InChIKey
MXSHFGAZNKNPHP-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine
- English name
- [1-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-ETHYL]-METHYL-AMINE
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
381191-92-01-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-N-methylethan-1-amine1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-N-methylethanamineTimTec1_002683Oprea1_290547Oprea1_554734SCHEMBL764726DTXSID90387675HMS1541J21STK676862AKOS000130051
Show more names
AKOS BBV-010453OTAVA-BB 1146342CHEMBRDG-BB 4102870TIMTEC-BB SBB007387UKRORGSYN-BB BBV-0104531,4-Benzodioxin-6-methanamine, 2,3-dihydro-N,α-dimethyl-[1-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-ETHYL]-METHYL-AMINE1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine(SALTDATA: 0.95HCl)
AKOS017281831NCGC00173857-01ST037490DB-258405CS-0327510EU-0085869N14857AG-205/14740013
Database identifiers
- CAS
381191-92-0- PubChem CID
- 2901441
- DTXSID
DTXSID90387675
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 273.6 · 273.6±39.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 9.91 · 9.91±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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