Cas no 90068-71-6 (Hexanoic acid, 6-(pentylamino)-)
90068-71-6 structure
Product Name:Hexanoic acid, 6-(pentylamino)-
CAS No:90068-71-6
MF:C11H23NO2
MW:201.305823564529
CID:794927
PubChem ID:13292397
Update Time:2025-04-19
Hexanoic acid, 6-(pentylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 6-(pentylamino)-
- 6-(pentylamino)hexanoic acid
- AKOS013617457
- SCHEMBL1976038
- 90068-71-6
- A1-05753
- DTXSID10535196
-
- Inchi： 1S/C11H23NO2/c1-2-3-6-9-12-10-7-4-5-8-11(13)14/h12H,2-10H2,1H3,(H,13,14)
- InChI Key： CUEGAEYTMKZWSN-UHFFFAOYSA-N
- SMILES： OC(CCCCCNCCCCC)=O
Computed Properties
- Exact Mass: 201.172878976g/mol
- Monoisotopic Mass: 201.172878976g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 137
- 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: -0.1
- Topological Polar Surface Area: 49.3?2
Hexanoic acid, 6-(pentylamino)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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