Cas no 114413-96-6 (5-bromo-2,2-dimethylpentanamide)
114413-96-6 structure
Product Name:5-bromo-2,2-dimethylpentanamide
CAS No:114413-96-6
MF:C7H14BrNO
MW:208.096161365509
CID:2612803
PubChem ID:71338288
Update Time:2025-04-21
5-bromo-2,2-dimethylpentanamide Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-2,2-dimethylpentanamide
- 5-bromo-2,2-di-methylpentanamide
- 114413-96-6
- DTXSID90765893
- DTXCID20716636
-
- Inchi： 1S/C7H14BrNO/c1-7(2,6(9)10)4-3-5-8/h3-5H2,1-2H3,(H2,9,10)
- InChI Key： POAKGCCYLHEOBH-UHFFFAOYSA-N
- SMILES： BrCCCC(C(N)=O)(C)C
Computed Properties
- Exact Mass: 207.02588Da
- Monoisotopic Mass: 207.02588Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 123
- 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: 1.5
- Topological Polar Surface Area: 43.1?2
5-bromo-2,2-dimethylpentanamide Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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