1,3-Benzodioxole-2-propionamide, N-(2-diethylaminoethyl)-2-methyl-
Basic information
- CAS
50836-28-7- Standard SMILES
CCN(CC)CCNC(=O)CCC1(C)Oc2ccccc2O1- InChIKey
UXWHRMXLWAPSPS-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-2-propionamide, N-(2-diethylaminoethyl)-2-methyl-
- IUPAC
- N-[2-(diethylamino)ethyl]-3-(2-methyl-1,3-benzodioxol-2-yl)propanamide
- English name
- N-(2-Diethylaminoethyl)-2-methyl-1,3-benzodioxole-2-propionamide
- Molecular formula
- C17H26N2O3
- Molecular weight
- 306.4
Names & synonyms
50836-28-7N-(2-Diethylaminoethyl)-2-methyl-1,3-benzodioxole-2-propionamide1,3-BENZODIOXOLE-2-PROPIONAMIDE, N-(2-DIETHYLAMINOETHYL)-2-METHYL-DTXSID60198871RefChem:217911DTXCID20121362SCHEMBL11816443N-[2-(diethylamino)ethyl]-3-(2-methyl-2H-1,3-benzodioxol-2-yl)propanamideDB-2656741,3-Benzodioxole-2-propanamide, N-[2-(diethylamino)ethyl]-2-methyl-
Database identifiers
- CAS
50836-28-7- PubChem CID
- 39825
- DTXSID
DTXSID60198871- Nikkaji
- J71.478J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 42 · 42-43 °C
- Boiling point
- 455.9 · 455.9±33.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 15.54 · 15.54±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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