Cas no 111109-96-7 (5-(decanoylamino)pentanoic acid)
111109-96-7 structure
Product Name:5-(decanoylamino)pentanoic acid
CAS No:111109-96-7
MF:C15H29NO3
MW:271.395664930344
CID:1196320
PubChem ID:2828496
Update Time:2025-04-20
5-(decanoylamino)pentanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(decanoylamino)pentanoic acid
- pentanoic acid, 5-[(1-oxodecyl)amino]-
- STK386891
- 111109-96-7
- DTXSID70385199
- 5-DECANAMIDOPENTANOIC ACID
- AKOS005431405
-
- Inchi： 1S/C15H29NO3/c1-2-3-4-5-6-7-8-11-14(17)16-13-10-9-12-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
- InChI Key： BNPAGNVLFGRZAU-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCC)NCCCCC(=O)O
Computed Properties
- Exact Mass: 271.21487
- Monoisotopic Mass: 271.21474379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 13
- Complexity: 242
- 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: 3.8
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
5-(decanoylamino)pentanoic acid Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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