Basic information
- CAS
21353-89-9- Standard SMILES
CC(=O)N(C)c1cccc([N+](=O)[O-])c1- InChIKey
URTKKUOKOMUICY-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914218
Names & identifiers
- Preferred name
- N-Methyl-N-(3-nitrophenyl)acetamide
- IUPAC
- N-methyl-N-(3-nitrophenyl)acetamide
- English name
- N-methyl-N-(3-nitrophenyl)acetamide
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
N-methyl-N-(3-nitrophenyl)acetamide21353-89-9DTXSID90350324RefChem:163748DTXCID10301393URTKKUOKOMUICY-UHFFFAOYSA-NMFCD021696777248ADN-(3-Nitrophenyl)-N-methylacetamideN-methyl-m-nitroacetanilideN-methyl-3'-nitroacetanilideMLS000755775
Show more names
3'-Nitro-N-methylacetoanilideAcetamide, N-methyl-N-(3-nitrophenyl)-
SCHEMBL2017690CHEMBL1498448HMS2587J23SBB091725AKOS003626105SMR000337439ST079777F78384
Database identifiers
- CAS
21353-89-9- PubChem CID
- 676602
- DTXSID
DTXSID90350324- ChEMBL
CHEMBL1498448- EC Number
- 196-864-2
- Nikkaji
- J356.442H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 99 · 99-101°
- Boiling point
- 321.4 · 321.4±25.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- -1.93 · -1.93±0.50(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
5 records
Compound notes
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