Cas no 6955-16-4 (2-aminooctadecanoic acid)
2-aminooctadecanoic acid structure
Product Name:2-aminooctadecanoic acid
CAS No:6955-16-4
MF:C18H38ClNO2
MW:335.952825069427
CID:973880
PubChem ID:24182776
Update Time:2025-04-19
2-aminooctadecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-aminooctadecanoic acid
- (Z)-2-Amino-9-octadecanoic acid
- 2-aminooctadecanoic acid,hydrochloride
- 2-Aminooctadecanoic acid--hydrogen chloride (1/1)
- 6955-16-4
- NSC-20186
- DTXSID10636632
- NSC20186
-
- Inchi： 1S/C18H37NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;/h17H,2-16,19H2,1H3,(H,20,21);1H
- InChI Key： FWRDNPIXTWAPFY-UHFFFAOYSA-N
- SMILES： Cl.OC(C(CCCCCCCCCCCCCCCC)N)=O
Computed Properties
- Exact Mass: 299.28261
- Monoisotopic Mass: 335.259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 231
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3A^2
Experimental Properties
- Density: 0.923
- Boiling Point: 420.7°C at 760 mmHg
- Flash Point: 208.3°C
- Refractive Index: 1.47
- PSA: 63.32
2-aminooctadecanoic acid Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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