Cas no 52533-39-8 (N-acetyl-5-bromopentanamide)
N-acetyl-5-bromopentanamide structure
Product Name:N-acetyl-5-bromopentanamide
CAS No:52533-39-8
MF:C7H12BrNO2
MW:222.079681396484
CID:1578042
PubChem ID:6452662
Update Time:2025-04-21
N-acetyl-5-bromopentanamide Chemical and Physical Properties
Names and Identifiers
-
- N-acetyl-5-bromopentanamide
- N-acetyl-5-bromovaleramide
- 2-Bromo-n-valeramide
- DTXSID60200524
- Pentanamide, N-acetyl-5-bromo-
- JOONJXABQXFMDV-UHFFFAOYSA-N
- 52533-39-8
-
- Inchi： 1S/C7H12BrNO2/c1-6(10)9-7(11)4-2-3-5-8/h2-5H2,1H3,(H,9,10,11)
- InChI Key： JOONJXABQXFMDV-UHFFFAOYSA-N
- SMILES： BrCCCCC(NC(C)=O)=O
Computed Properties
- Exact Mass: 221.00516
- Monoisotopic Mass: 221.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 147
- 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: 0.7
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
N-acetyl-5-bromopentanamide Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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