Cas no 6961-16-6 (2-Butenediamide,N,N'-bis(4-hydroxyphenyl)-, (E)- (9CI))
6961-16-6 structure
Product Name:2-Butenediamide,N,N'-bis(4-hydroxyphenyl)-, (E)- (9CI)
CAS No:6961-16-6
MF:C16H14N2O4
MW:298.293364048004
CID:513057
PubChem ID:5356642
Update Time:2025-04-19
2-Butenediamide,N,N'-bis(4-hydroxyphenyl)-, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenediamide,N,N'-bis(4-hydroxyphenyl)-, (E)- (9CI)
- (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
- AC1NS9IC
- N,N'-bis-(4-hydroxy-phenyl)-fumaramide
- NSC63982
- SCHEMBL7771158
- 6961-16-6
- DTXSID00418146
- NSC-63982
-
- Inchi： 1S/C16H14N2O4/c19-13-5-1-11(2-6-13)17-15(21)9-10-16(22)18-12-3-7-14(20)8-4-12/h1-10,19-20H,(H,17,21)(H,18,22)/b10-9+
- InChI Key： WXOYACGTOHRQCZ-MDZDMXLPSA-N
- SMILES： OC1C=CC(=CC=1)NC(/C=C/C(NC1C=CC(=CC=1)O)=O)=O
Computed Properties
- Exact Mass: 298.09542
- Monoisotopic Mass: 298.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98.7A^2
- XLogP3: 1.5
Experimental Properties
- Density: 1.441
- Boiling Point: 660.9°C at 760 mmHg
- Flash Point: 353.5°C
- Refractive Index: 1.732
- PSA: 98.66
- LogP: 2.37720
2-Butenediamide,N,N'-bis(4-hydroxyphenyl)-, (E)- (9CI) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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