N,N-Diethyl-3,4-methylenedioxybenzamide
Basic information
- CAS
15777-86-3- Standard SMILES
CCN(CC)C(=O)c1ccc2c(c1)OCO2- InChIKey
NZQNJNITDVCQRM-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- N,N-Diethyl-3,4-methylenedioxybenzamide
- IUPAC
- N,N-diethyl-1,3-benzodioxole-5-carboxamide
- English name
- 1,3-Benzodioxole-5-carboxamide,N,N-diethyl-
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
N,N-Diethyl-1,3-benzodioxole-5-carboxamide15777-86-3N,N-Diethyl-3,4-methylenedioxybenzamideNSC 60301,3-BENZODIOXOLE-5-CARBOXAMIDE, N,N-DIETHYL-WZ05RJA28UPiperonylamide, N,N-diethyl-BRN 0204796AI3-00813NSC-6030UNII-WZ05RJA28UDTXSID80166315
Show more names
1,3-Benzodioxole-5-carboxamide,N,N-diethyl-
4-19-00-03497 (Beilstein Handbook Reference)RefChem:201912DTXCID8088806N,N-DIETHYL-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDEN,N-DiethylpiperonylamideNSC6030TimTec1_007923SCHEMBL9488344
Database identifiers
- CAS
15777-86-3- PubChem CID
- 27480
- DTXSID
DTXSID80166315- UNII
- WZ05RJA28U
- Nikkaji
- J1.905.119F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 64 · 64-66 °C
- Boiling point
- 130 °C · 130 °C(Press: 0.1 Torr)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- -1.1 · -1.10±0.20(Predicted)
- FDA UNII
- 5 RJA28U · WZ05RJA28U
Related reactions
2 records
Compound notes
Loading…