Cas no 179011-80-4 (Pentanamide, 5-bromo-N-ethyl-)
Pentanamide, 5-bromo-N-ethyl- structure
Product Name:Pentanamide, 5-bromo-N-ethyl-
CAS No:179011-80-4
MF:C7H14BrNO
MW:208.096161365509
CID:1365896
PubChem ID:15341725
Update Time:2025-04-20
Pentanamide, 5-bromo-N-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanamide, 5-bromo-N-ethyl-
- 5-bromo-N-ethylpentanamide
- SCHEMBL7465294
- TZSLSDUQWBHGBV-UHFFFAOYSA-N
- DA-09136
- 179011-80-4
-
- Inchi： 1S/C7H14BrNO/c1-2-9-7(10)5-3-4-6-8/h2-6H2,1H3,(H,9,10)
- InChI Key： TZSLSDUQWBHGBV-UHFFFAOYSA-N
- SMILES： BrCCCCC(NCC)=O
Computed Properties
- Exact Mass: 207.02592
- Monoisotopic Mass: 207.02588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 95.6
- 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: 1.3
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
Pentanamide, 5-bromo-N-ethyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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