Cas no 803611-39-4 (Propanamide,3-(dimethylamino)-2-methyl-N-(2-methylphenyl)-)
803611-39-4 structure
Product Name:Propanamide,3-(dimethylamino)-2-methyl-N-(2-methylphenyl)-
CAS No:803611-39-4
MF:C13H20N2O
MW:220.310703277588
CID:714070
Update Time:2022-09-23
Propanamide,3-(dimethylamino)-2-methyl-N-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Propanamide,3-(dimethylamino)-2-methyl-N-(2-methylphenyl)-
- o-Propionotoluidide, 3-(dimethylamino)-2-methyl- (8CI)
- Propanamide, 3-(dimethylamino)-2-methyl-N-(2-methylphenyl)-
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- Inchi： 1S/C13H20N2O/c1-10-7-5-6-8-12(10)14-13(16)11(2)9-15(3)4/h5-8,11H,9H2,1-4H3,(H,14,16)
- InChI Key： KDQQCBSRBGQQEX-UHFFFAOYSA-N
- SMILES： C(NC1=CC=CC=C1C)(=O)C(C)CN(C)C
Computed Properties
- Exact Mass: 220.158
- Monoisotopic Mass: 220.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 228
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 32.3A^2
Propanamide,3-(dimethylamino)-2-methyl-N-(2-methylphenyl)- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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