Basic information
- CAS
33098-76-9- Standard SMILES
Cc1cccc(C)c1NC(=O)C(C)C- InChIKey
IIRBAAZJVBNVAJ-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 2,6-Dimethylisobutyranilide
- IUPAC
- N-(2,6-dimethylphenyl)-2-methylpropanamide
- English name
- N-(2,6-dimethylphenyl)-2-methylpropanamide
- Molecular formula
- C12H17NO
- Molecular weight
- 0
Names & synonyms
N-(2,6-dimethylphenyl)-2-methylpropanamide2,6-Dimethylisobutyranilide2',6'-Isobutyroxylidide2,6-Dimethyl-i-butyranilideISOBUTYRANILIDE, 2,6-DIMETHYL-C0SV5DA2ZSNSC 165623Propanamide, N-(2,6-dimethylphenyl)-2-methyl-BRN 2098739UNII-C0SV5DA2ZSNSC-165623DTXSID20186759
Show more names
RefChem:83326DTXCID101092502',6'-Isobutyroxylidide (8CI)Propanamide, N-(2,6-dimethylphenyl)-2-methyl-(9CI)654-393-433098-76-9N-(2,6-Dimethylphenyl)isobutyramideMFCD00026438
Database identifiers
- CAS
33098-76-9- PubChem CID
- 36334
- DTXSID
DTXSID20186759- UNII
- C0SV5DA2ZS
- EC Number
- 654-393-4
- Nikkaji
- J53.653I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- FDA UNII
- 0 SV5DA2ZS · C0SV5DA2ZS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…