N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
Basic information
- CAS
19007-49-9- Standard SMILES
COc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1OC- InChIKey
YWFDPMZSVPNYHJ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O5
- Average molar mass
- 330.33 g/mol
- Monoisotopic mass
- 330.12157168
Names & identifiers
- Preferred name
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
- English name
- N-(2-(3,4-Dimethoxyphenyl)ethyl)(2-nitrophenyl)formamide
- Molecular formula
- C17H18N2O5
- Molecular weight
- 330.34
Names & synonyms
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide19007-49-9MFCD00111047N-(3,4-dimethoxyphenethyl)-2-nitrobenzamideN-(2-(3,4-DIMETHOXYPHENYL)ETHYL)(2-NITROPHENYL)FORMAMIDEN-[2-(3,4-dimethoxyphenyl)ethyl](2-nitrophenyl)carboxamideCBMicro_028404Cambridge id 5693758Oprea1_403642N-o-nitrobenzoylhomoveratrylamineSBB062146STK364391
Show more names
Benzamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-
AKOS002944620MS-6170FD169068BIM-0028284.P001CS-0316380ST45004841ST50448045F70928
Database identifiers
- CAS
19007-49-9- PubChem CID
- 694757
- EC Number
- 148-545-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 142 · 142-143 °C(Solvent: Ethanol)
- Boiling point
- 529.099 · 529.099±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.483 · 13.483±0.46(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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