Cas no 66875-78-3 (Propanamide, 2-bromo-N-(1,1-dimethylethyl)-2-methyl-)
66875-78-3 structure
Product Name:Propanamide, 2-bromo-N-(1,1-dimethylethyl)-2-methyl-
CAS No:66875-78-3
MF:C8H16BrNO
MW:222.122741699219
CID:395636
PubChem ID:10878723
Update Time:2025-04-19
Propanamide, 2-bromo-N-(1,1-dimethylethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide, 2-bromo-N-(1,1-dimethylethyl)-2-methyl-
- 2-bromo-N-tert-butyl-2-methylpropanamide
- DTXSID40446862
- 2-bromo-N-(tert-butyl)-2-methylpropanamide
- SCHEMBL10187839
- FT-0768826
- 66875-78-3
- WQOWHMXKLMGNFG-UHFFFAOYSA-N
-
- Inchi: 1S/C8H16BrNO/c1-7(2,3)10-6(11)8(4,5)9/h1-5H3,(H,10,11)
- InChI Key: WQOWHMXKLMGNFG-UHFFFAOYSA-N
- SMILES: BrC(C)(C)C(NC(C)(C)C)=O
Computed Properties
- Exact Mass: 221.04158
- Monoisotopic Mass: 221.04153g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
Propanamide, 2-bromo-N-(1,1-dimethylethyl)-2-methyl- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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