Cas no 124076-61-5 (Butamidine)
Butamidine structure
Product Name:Butamidine
CAS No:124076-61-5
MF:C18H22N4O2
MW:326.392883777618
CID:176788
Update Time:2023-08-03
Butamidine Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboximidamide,4,4'-[1,4-butanediylbis(oxy)]bis-
- Butamidine
- Enzenecarboximidamide
- 4,4'-(1,4-Butanediylbis(oxy))bis-benzenecarboximidamide
- 1,4-Di(4'-amidinonphenoxy)butane
- 4-[4-(4-carbamimidoylphenoxy)butoxy]benzamidine
- 4,4'-[Butane-1,4-diylbis(oxy)]di(benzene-1-carboximidamide)
-
- Inchi： 1S/C18H22N4O2/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22)
- InChI Key： KXHZWUUTWSKONE-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=N)N)=CC=1)CCCCOC1C=CC(C(=N)N)=CC=1
Computed Properties
- Exact Mass: 326.174
- Monoisotopic Mass: 326.174
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 362
- 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
- Topological Polar Surface Area: 118
Experimental Properties
- Boiling Point: 530.4°Cat760mmHg
- Flash Point: 274.6°C
- Refractive Index: 1.6
Butamidine Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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