[(3-Chlorophenyl)amino][(propan-2-ylideneamino)oxy]methanone
Basic information
- CAS
2911-41-3- Standard SMILES
CC(C)=NOC(=O)Nc1cccc(Cl)c1- InChIKey
MDWNFGZAYGWRFB-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O2
- Average molar mass
- 226.66 g/mol
- Monoisotopic mass
- 226.0509053
Overview
See also: O-(N-(3-Chlorophenyl)carbamoyl)acetone oxime (annotation moved to).
Names & identifiers
- Preferred name
- [(3-Chlorophenyl)amino][(propan-2-ylideneamino)oxy]methanone
- IUPAC
- (propan-2-ylideneamino) N-(3-chlorophenyl)carbamate
- English name
- O-(N-(3-Chlorophenyl)carbamoyl)acetone oxime
- Molecular formula
- C10H11ClN2O2
- Molecular weight
- 226.66
Names & synonyms
[(3-chlorophenyl)amino][(propan-2-ylideneamino)oxy]methanone2911-41-3(propan-2-ylideneamino) N-(3-chlorophenyl)carbamateNSC61391DTXSID50289469NSC-61391AKOS024334309(3-Chloroanilino){[(propan-2-ylidene)amino]oxy}methanone1-chloro-3-[({[(1-methylethylidene)amino]oxy}carbonyl)amino]benzeneO-(3-Chlorphenylcarbamoyl)-acetonoximO-(N-(3-Chlorophenyl)carbamoyl)acetone oxime2-Propanone, O-[[(3-chlorophenyl)amino]carbonyl]oxime
Database identifiers
- CAS
2911-41-3- PubChem CID
- 247175
- DTXSID
DTXSID50289469
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 84.5 · 84.5-85.0 °C
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 12.41 · 12.41±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
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,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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