Cas no 10508-39-1 (1,2,4-Benzenetricarboxamide)
1,2,4-Benzenetricarboxamide structure
Product Name:1,2,4-Benzenetricarboxamide
CAS No:10508-39-1
MF:C9H9N3O3
MW:207.186061620712
CID:1150279
PubChem ID:12732456
Update Time:2025-04-20
1,2,4-Benzenetricarboxamide Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxamide
- benzene-1,2,4-tricarboxamide
- DTXSID90508388
- SCHEMBL11555300
- 10508-39-1
-
- Inchi: 1S/C9H9N3O3/c10-7(13)4-1-2-5(8(11)14)6(3-4)9(12)15/h1-3H,(H2,10,13)(H2,11,14)(H2,12,15)
- InChI Key: SXHLEIFYCANFJQ-UHFFFAOYSA-N
- SMILES: O=C(C1C=C(C(N)=O)C=CC=1C(N)=O)N
Computed Properties
- Exact Mass: 207.06447
- Monoisotopic Mass: 207.06439116g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 303
- 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
- XLogP3: -2.9
- Topological Polar Surface Area: 129?2
Experimental Properties
- PSA: 129.27
1,2,4-Benzenetricarboxamide Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
10508-39-1 (1,2,4-Benzenetricarboxamide) Related Products
- 527-85-5(2-methylbenzamide)
- 4380-68-1(2,4,6-TRIMETHYL-BENZAMIDE)
- 88-96-0(benzene-1,2-dicarboxamide)
- 63056-17-7(2-(Aminomethyl)benzamide)
- 87963-75-5(2-formylbenzamide)
- 5580-33-6(3,4-Dimethylbenzamide)
- 5580-34-7(2,3-Dimethylbenzamide)
- 55321-98-7(2,6-dimethylbenzamide)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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