Basic information
- CAS
93839-20-4- Standard SMILES
COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-]- InChIKey
JXHSJUAPWJKPLE-UHFFFAOYSA-N- Molecular formula
- C15H13N3O5
- Average molar mass
- 315.28 g/mol
- Monoisotopic mass
- 315.08552052
Names & identifiers
- Preferred name
- N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
- IUPAC
- N-(4-carbamoylphenyl)-4-methoxy-3-nitrobenzamide
- English name
- N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
- Molecular formula
- C15H13N3O5
- Molecular weight
- 315.28
Names & synonyms
93839-20-4N-(4-(Aminocarbonyl)phenyl)-4-methoxy-3-nitrobenzamideEINECS 298-790-7EC 298-790-7N-[4-(AMINOCARBONYL)PHENYL]-4-METHOXY-3-NITROBENZAMIDEDTXSID70239729RefChem:162053DTXCID70162220298-790-7N-(4-carbamoylphenyl)-4-methoxy-3-nitrobenzamide6129-46-0benzamide, n-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitro-
Show more names
N-[4-(Aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamid
CBMicro_008151QP4P8XAK5COprea1_144705JXHSJUAPWJKPLE-UHFFFAOYSA-NSMSF0014291STK079388AKOS001113921CB10706
Database identifiers
- CAS
93839-20-4- PubChem CID
- 874576
- DTXSID
DTXSID70239729- UNII
- QP4P8XAK5C
- EC Number
- 298-790-7
- Nikkaji
- J317.602I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Density
- 1.485 g/cm3 · 1.485g/cm3 at 26℃
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- form
- Powder
- LogP
- 1.75 at · 1.75 at 23℃ and pH7-7.3
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide (EC: 298-790-7)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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