Basic information
- CAS
205756-33-8- Standard SMILES
Cc1ccc(NC(=O)C(C)(C)C)c(I)c1- InChIKey
BGEQNDMAJXNQSN-UHFFFAOYSA-N- Molecular formula
- C12H16INO
- Average molar mass
- 317.17 g/mol
- Monoisotopic mass
- 317.02766
Names & identifiers
- Preferred name
- N-(2-Iodo-4-methylphenyl)pivalamide
- IUPAC
- N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
- English name
- N - (2 - Iodo - 4 - Methylphenyl)pivalaMide
- Molecular formula
- C12H16INO
- Molecular weight
- 317.17
Names & synonyms
N-(2-Iodo-4-methylphenyl)pivalamide205756-33-8DTXSID40336294RefChem:360825DTXCID90287383N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamidePropanamide, N-(2-iodo-4-methylphenyl)-2,2-dimethyl-SCHEMBL7145918BGEQNDMAJXNQSN-UHFFFAOYSA-NN - (2 - Iodo - 4 - Methylphenyl)pivalaMide
Database identifiers
- CAS
205756-33-8- PubChem CID
- 532037
- DTXSID
DTXSID40336294
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 385.2 · 385.2±30.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- pka
- 14.34 · 14.34±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
Alchem Pharmtech,Inc.8485655694 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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