Basic information
- CAS
64037-69-0- Standard SMILES
CCC(C(=O)NC(O)C(Cl)(Cl)Cl)C(C)C- InChIKey
QUMOGDHLKCDWQZ-UHFFFAOYSA-N- Molecular formula
- C9H16Cl3NO2
- Average molar mass
- 276.6 g/mol
- Monoisotopic mass
- 275.024662
Names & identifiers
- Preferred name
- 2-Ethyl-3-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)butanimidic acid
- IUPAC
- 2-ethyl-3-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)butanamide
- English name
- N-(1-Hydroxy-2,2,2-trichloroethyl)-2-isopropylbutyramide
- Molecular formula
- C9H16Cl3NO2
- Molecular weight
- 276.59
Names & synonyms
64037-69-0DTXSID509820242-Ethyl-3-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)butanimidic acidRefChem:1063041DTXCID601409289N-(alpha-Hydroxy-beta-trichloro)ethyl-2-isopropylbutyramideBUTYRAMIDE, N-(alpha-HYDROXY-beta-TRICHLORO)ETHYL-2-ISOPROPYL-N-(1-Hydroxy-2,2,2-trichloroethyl)-2-isopropylbutyramideDB-298176Butanamide, 2-ethyl-3-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)-
Database identifiers
- CAS
64037-69-0- PubChem CID
- 46433
- DTXSID
DTXSID50982024- Nikkaji
- J65.837E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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