1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate
Basic information
- CAS
50836-11-8- Standard SMILES
CCN(CC)CCNC(=O)CC1(C)Oc2ccc([N+](=O)[O-])cc2O1.O=C(O)C(=O)O- InChIKey
QMFWKFVBWQSQEE-UHFFFAOYSA-N- Molecular formula
- C18H25N3O9
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.15907938
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate
- IUPAC
- N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide;oxalic acid
- English name
- N-(2-Diethylaminoethyl)-2-methyl-5-nitro-1,3-benzodioxole-2-acetamide
- Molecular formula
- C16H23N3O5
- Molecular weight
- 337.37
Names & synonyms
50836-11-81,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalateN-(2-Diethylaminoethyl)-2-methyl-5-nitro-1,3-benzodioxole-2-acetamide oxalateRefChem:217899DTXSID30965072Oxalic acid--N-[2-(diethylamino)ethyl](2-methyl-5-nitro-2H-1,3-benzodioxol-2-yl)ethanimidic acid (1/1)Oxalic acid--N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-2H-1,3-benzodioxol-2-yl)ethanimidic acid (1/1)N-(2-Diethylaminoethyl)-2-methyl-5-nitro-1,3-benzodioxole-2-acetamide1,3-Benzodioxole-2-acetamide, N-[2-(diethylamino)ethyl]-2-methyl-5-nitro-
Database identifiers
- CAS
50836-11-8- PubChem CID
- 39813
- DTXSID
DTXSID30965072
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Boiling point
- 507.8 · 507.8±50.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- pka
- 14.67 · 14.67±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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