3-Methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
Basic information
- CAS
876126-59-9- Standard SMILES
COc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]- InChIKey
VMXVRIYTWVAOEC-UHFFFAOYSA-N- Molecular formula
- C14H19N3O4
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.1375561
Names & identifiers
- Preferred name
- 3-Methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
- IUPAC
- 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
- English name
- 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
- Molecular formula
- C14H19N3O4
- Molecular weight
- 293.32
Names & synonyms
876126-59-93-Methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamideMFCD28096665Benzamide, 3-methoxy-N-(1-methyl-4-piperidinyl)-4-nitro-SCHEMBL736393DTXSID80659272BS-42528D843813-methoxy-N-(1-methyl-4-piperidyl)-4-nitro-benzamide
Database identifiers
- CAS
876126-59-9- PubChem CID
- 44539337
- DTXSID
DTXSID80659272
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 460.2 · 460.2±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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