Cas no 918817-90-0 (2-(Butylamino)hexadecanoic acid)
918817-90-0 structure
Product Name:2-(Butylamino)hexadecanoic acid
CAS No:918817-90-0
MF:C20H41NO2
MW:327.545046567917
CID:770359
Update Time:2023-08-03
2-(Butylamino)hexadecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid, 2-(butylamino)-
- 2-(butylamino)hexadecanoic acid
- 2-(Butylamino)hexadecanoic acid
-
- Inchi： 1S/C20H41NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19(20(22)23)21-18-6-4-2/h19,21H,3-18H2,1-2H3,(H,22,23)
- InChI Key： ZCZITWAXBDPDET-UHFFFAOYSA-N
- SMILES： OC(C(CCCCCCCCCCCCCC)NCCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 18
- Complexity: 256
- Topological Polar Surface Area: 49.3
2-(Butylamino)hexadecanoic acid Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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