Cas no 64594-44-1 (N-(2,6-dimethylphenyl)-4-nitrobenzamide)
64594-44-1 structure
Product Name:N-(2,6-dimethylphenyl)-4-nitrobenzamide
CAS No:64594-44-1
MF:C15H14N2O3
MW:270.283263683319
CID:1680377
PubChem ID:477704
Update Time:2025-04-21
N-(2,6-dimethylphenyl)-4-nitrobenzamide Chemical and Physical Properties
Names and Identifiers
-
- N-(2,6-dimethylphenyl)-4-nitrobenzamide
- benzamide, N-(2,6-dimethylphenyl)-4-nitro-
- CHEMBL112463
- BIM-0009764.P001
- CBMicro_009799
- 4-nitro-N-(2,6-dimethylphenyl) benzamide
- AKOS003245273
- Oprea1_305603
- SR-01000200934
- CB12641
- 4-nitro-N-(2,6-dimethylphenyl)-benzamide
- SR-01000200934-1
- 64594-44-1
- N-(2,6-Dimethylphenyl)-4-nitrobenzamide #
- N-(2,6-Dimethylphenyl)-p-nitrobenzamide
- STK037318
- SMSF0005397
- N-(2,6-Dimethylphenyl)-4-nitro-benzamide
- SCHEMBL7367686
- DTXSID90983212
-
- Inchi： 1S/C15H14N2O3/c1-10-4-3-5-11(2)14(10)16-15(18)12-6-8-13(9-7-12)17(19)20/h3-9H,1-2H3,(H,16,18)
- InChI Key： WBLNADQPUSRQIV-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)[N+](=O)[O-])NC1C(C)=CC=CC=1C
Computed Properties
- Exact Mass: 270.10052
- Monoisotopic Mass: 270.100442
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 349
- 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: 2.7
- Topological Polar Surface Area: 74.9
Experimental Properties
- Density: 1.270±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 193-196 oC
- Boiling Point: 357.8°Cat760mmHg
- Flash Point: 357.8°Cat760mmHg
- Refractive Index: 1.644
- Solubility: Insuluble (5.4E-3 g/L) (25 oC),
- PSA: 72.24
N-(2,6-dimethylphenyl)-4-nitrobenzamide Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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