Cas no 902745-27-1 (Octanoic acid, 3-amino-5,7-dimethyl-)
902745-27-1 structure
Product Name:Octanoic acid, 3-amino-5,7-dimethyl-
CAS No:902745-27-1
MF:C10H21NO2
MW:187.27924323082
CID:1949682
PubChem ID:86250836
Update Time:2025-04-21
Octanoic acid, 3-amino-5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 3-amino-5,7-dimethyl-
- 902745-27-1
- DTXSID901290156
-
- Inchi： 1S/C10H21NO2/c1-7(2)4-8(3)5-9(11)6-10(12)13/h7-9H,4-6,11H2,1-3H3,(H,12,13)
- InChI Key： YPPQWZMFPWDBHN-UHFFFAOYSA-N
- SMILES： OC(CC(CC(C)CC(C)C)N)=O
Computed Properties
- Exact Mass: 187.157228913Da
- Monoisotopic Mass: 187.157228913Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 63.3?2
Octanoic acid, 3-amino-5,7-dimethyl- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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