Cas no 3038-42-4 (Guanidine, N-octyl-)
Guanidine, N-octyl- structure
Product Name:Guanidine, N-octyl-
Guanidine, N-octyl- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine, N-octyl-
- 2-octylguanidine
- Guanidine,octyl- (7CI,8CI,9CI)
- n-Octylguanidine
- Octylguanidine
- U4G
- n-Octyl guanidine
- 3038-42-4
- Guanidine, octyl-
- N-Octyl-guanidine
- N''-Octylguanidine #
- XPYXSZDENRDLKD-UHFFFAOYSA-N
- SCHEMBL93899
- DTXSID40184459
- CHEMBL440685
-
- Inchi： 1S/C9H21N3/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)
- InChI Key： XPYXSZDENRDLKD-UHFFFAOYSA-N
- SMILES： N(=C(/N)\N)/CCCCCCCC
Computed Properties
- Exact Mass: 171.17373
- Monoisotopic Mass: 269.140927
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 175
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 157
- XLogP3: 2.1
Experimental Properties
- Boiling Point: 250°Cat760mmHg
- Flash Point: 105°C
- PSA: 61.9
Guanidine, N-octyl- Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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