3-methyl-N-[2,2,2-trichloro-1-(3-nitroanilino)ethyl]butanamide
Basic information
- CAS
297142-29-1- Standard SMILES
CC(C)CC(=O)NC(Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl- InChIKey
MYEMHFJLMAREEO-UHFFFAOYSA-N- Molecular formula
- C13H16Cl3N3O3
- Average molar mass
- 368.6 g/mol
- Monoisotopic mass
- 367.025724
Names & identifiers
- Preferred name
- 3-methyl-N-[2,2,2-trichloro-1-(3-nitroanilino)ethyl]butanamide
- IUPAC
- 3-methyl-N-[2,2,2-trichloro-1-(3-nitroanilino)ethyl]butanamide
- English name
- 3-methyl-N-(2,2,2-trichloro-1-{3-nitroanilino}ethyl)butanamide
- Molecular formula
- C13H16Cl3N3O3
- Molecular weight
- 368.64344
Names & synonyms
3-methyl-N-[2,2,2-trichloro-1-(3-nitroanilino)ethyl]butanamide297142-29-13-methyl-N-(2,2,2-trichloro-1-{3-nitroanilino}ethyl)butanamideAKOS001023928AE-848/32602050Z567567973-METHYL-N-(2,2,2-TRICHLORO-1-(3-NITRO-PHENYLAMINO)-ETHYL)-BUTYRAMIDE
Database identifiers
- CAS
297142-29-1- PubChem CID
- 4674686
- EC Number
- 148-651-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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