Basic information
- CAS
478043-12-8- Standard SMILES
Cc1cccc(C)c1NC(=O)ON=C(COc1ccccc1[N+](=O)[O-])C(C)(C)C- InChIKey
WNIDICUCXTWRBH-UHFFFAOYSA-N- Molecular formula
- C21H25N3O5
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- N-{[(2,6-dimethylanilino)carbonyl]oxy}-N-{(E)-2,2-dimethyl-1-[(2-nitrophenoxy)methyl]propylidene}amine
- IUPAC
- [[3,3-dimethyl-1-(2-nitrophenoxy)butan-2-ylidene]amino] N-(2,6-dimethylphenyl)carbamate
- English name
- 2-(([(((E)-2,2-Dimethyl-1-[(2-nitrophenoxy)methyl]propylidene)amino)oxy]carbonyl)amino)-1,3-dimethylbenzene
- Molecular formula
- C21H25N3O5
- Molecular weight
- 399.44
Names & synonyms
CDS1_001395478043-12-8N-{[(2,6-dimethylanilino)carbonyl]oxy}-N-{(E)-2,2-dimethyl-1-[(2-nitrophenoxy)methyl]propylidene}amineBionet1_003939DivK1c_002435AKOS030244711N-{[(2,6-Dimethylanilino)carbonyl]oxy}-N-{(E)-2,2-dimethyl-1-[(2-nitrophenoxy)methyl]propylide2-Butanone, 3,3-dimethyl-1-(2-nitrophenoxy)-, O-[[(2,6-dimethylphenyl)amino]carbonyl]oxime (9CI)N-([(2,6-DIMETHYLANILINO)CARBONYL]OXY)-N-((E)-2,2-DIMETHYL-1-[(2-NITROPHENOXY)METHYL]PROPYLIDENE)AMINE2-(([(((E)-2,2-Dimethyl-1-[(2-nitrophenoxy)methyl]propylidene)amino)oxy]carbonyl)amino)-1,3-dimethylbenzene
Database identifiers
- CAS
478043-12-8
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 12.69 · 12.69±0.70(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
Suppliers2 total
BIONET-INTER[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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