Cas no 89446-97-9 (Benzenecarboximidamide, 4,4'-oxybis[N-hydroxy-3-methyl-)
89446-97-9 structure
Product Name:Benzenecarboximidamide, 4,4'-oxybis[N-hydroxy-3-methyl-
CAS No:89446-97-9
MF:C16H18N4O3
MW:314.339123249054
CID:600215
PubChem ID:71324329
Update Time:2025-04-19
Benzenecarboximidamide, 4,4'-oxybis[N-hydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- N'-hydroxy-4-[4-(N'-hydroxycarbamimidoyl)-2-methylphenoxy]-3-methylbenzenecarboximidamide
- DTXSID10753818
- 89446-97-9
- 4,4'-Oxybis(N'-hydroxy-3-methylbenzene-1-carboximidamide)
- Benzenecarboximidamide, 4,4'-oxybis[N-hydroxy-3-methyl-
-
- Inchi： 1S/C16H18N4O3/c1-9-7-11(15(17)19-21)3-5-13(9)23-14-6-4-12(8-10(14)2)16(18)20-22/h3-8,21-22H,1-2H3,(H2,17,19)(H2,18,20)
- InChI Key： IJFMSECALWHYKI-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=NO)N)=CC=1C)C1C=CC(C(=NO)N)=CC=1C
Computed Properties
- Exact Mass: 314.13789045g/mol
- Monoisotopic Mass: 314.13789045g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 415
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.4
- Topological Polar Surface Area: 126?2
Benzenecarboximidamide, 4,4'-oxybis[N-hydroxy-3-methyl- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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