Cas no 648908-47-8 (Tridecanoic acid, 3-(acetylamino)-, (3S)-)
648908-47-8 structure
Product Name:Tridecanoic acid, 3-(acetylamino)-, (3S)-
CAS No:648908-47-8
MF:C15H29NO3
MW:271.395664930344
CID:412709
PubChem ID:71378067
Update Time:2025-04-19
Tridecanoic acid, 3-(acetylamino)-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- Tridecanoic acid, 3-(acetylamino)-, (3S)-
- (3S)-3-acetamidotridecanoic acid
- 648908-47-8
- DTXSID60800689
-
- Inchi： 1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-14(12-15(18)19)16-13(2)17/h14H,3-12H2,1-2H3,(H,16,17)(H,18,19)/t14-/m0/s1
- InChI Key： OKEKYRGPFSUBAK-AWEZNQCLSA-N
- SMILES： OC(C[C@H](CCCCCCCCCC)NC(C)=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: 12
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
Tridecanoic acid, 3-(acetylamino)-, (3S)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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