Cas no 5440-37-9 ( )
structure
Product Name:
CAS No:5440-37-9
MF:C10H19NO3
MW:201.262763261795
CID:941079
PubChem ID:95555
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-acetamidooctanoic acid
- N-acetyl-2-aminooctanoic acid
- Z1147230696
- SCHEMBL8096053
- AKOS013015056
- NSC-20154
- EN300-342146
- CHEBI:89901
- 80782-69-0
- DTXSID401335973
- NSC 20154
- Q27162084
- 2-acetamidooctanoicacid
- CS-0246728
- Octanoic acid, 2-(acetylamino)-, (+-)-
- 5440-37-9
- N-Acetylaminooctanoic acid
- NSC20154
- 2-(Acetylamino)octanoic acid
-
-
- Inchi： 1S/C10H19NO3/c1-3-4-5-6-7-9(10(13)14)11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)(H,13,14)
- InChI Key： JJGNMSOJTSABGA-UHFFFAOYSA-N
- SMILES： OC(C(CCCCCC)NC(C)=O)=O
Computed Properties
- Exact Mass: 201.13600
- Monoisotopic Mass: 201.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.40000
- LogP: 1.93700
Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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