Cas no 4380-67-0 (Benzamide, 2,4,5-trimethyl- (8CI,9CI))
4380-67-0 structure
Product Name:Benzamide, 2,4,5-trimethyl- (8CI,9CI)
CAS No:4380-67-0
MF:C10H13NO
MW:163.216322660446
CID:1022450
PubChem ID:45084036
Update Time:2025-04-20
Benzamide, 2,4,5-trimethyl- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 2,4,5-trimethyl- (8CI,9CI)
- 2,4,5-trimethylbenzamide
- SCHEMBL4638397
- 4380-67-0
- DTXSID80665535
- DB-284894
- BENZAMIDE, 2,4,5-TRIMETHYL-
-
- Inchi： 1S/C10H13NO/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H2,11,12)
- InChI Key： AUZGGACNKLMLSF-UHFFFAOYSA-N
- SMILES： O=C(C1=CC(C)=C(C)C=C1C)N
Computed Properties
- Exact Mass: 163.1
- Monoisotopic Mass: 163.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 179
- 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: 43.1A^2
- XLogP3: 1.9
Benzamide, 2,4,5-trimethyl- (8CI,9CI) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
4380-67-0 (Benzamide, 2,4,5-trimethyl- (8CI,9CI)) Related Products
- 4380-68-1(2,4,6-TRIMETHYL-BENZAMIDE)
- 527-85-5(2-methylbenzamide)
- 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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