Cas no 18507-40-9 (2-Propenamide, N-(1,1-dimethylpentyl)-)
18507-40-9 structure
Product Name:2-Propenamide, N-(1,1-dimethylpentyl)-
CAS No:18507-40-9
MF:C10H19NO
MW:169.263962984085
CID:96121
PubChem ID:19105721
Update Time:2025-04-18
2-Propenamide, N-(1,1-dimethylpentyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenamide, N-(1,1-dimethylpentyl)-
- N-(2-methylhexan-2-yl)prop-2-enamide
- 18507-40-9
- DTXSID30598142
- SCHEMBL8765940
-
- Inchi： 1S/C10H19NO/c1-5-7-8-10(3,4)11-9(12)6-2/h6H,2,5,7-8H2,1,3-4H3,(H,11,12)
- InChI Key： XAYXLWICCULIEB-UHFFFAOYSA-N
- SMILES： O=C(C=C)NC(C)(C)CCCC
Computed Properties
- Exact Mass: 169.14677
- Monoisotopic Mass: 169.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 161
- 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: 2.5
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
2-Propenamide, N-(1,1-dimethylpentyl)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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