Cas no 5024-67-9 (1,2-Benzenediamine, N-(6-methyl-3-pyridinyl)-)
5024-67-9 structure
Product Name:1,2-Benzenediamine, N-(6-methyl-3-pyridinyl)-
CAS No:5024-67-9
MF:C12H13N3
MW:199.251722097397
CID:1567172
PubChem ID:12361030
Update Time:2025-04-21
1,2-Benzenediamine, N-(6-methyl-3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, N-(6-methyl-3-pyridinyl)-
- 2-N-(6-methylpyridin-3-yl)benzene-1,2-diamine
- 5024-67-9
- N~1~-(6-Methylpyridin-3-yl)benzene-1,2-diamine
- DTXSID40494040
-
- Inchi： 1S/C12H13N3/c1-9-6-7-10(8-14-9)15-12-5-3-2-4-11(12)13/h2-8,15H,13H2,1H3
- InChI Key： UGRDNGOYQOPSJU-UHFFFAOYSA-N
- SMILES： N(C1C=NC(C)=CC=1)C1C=CC=CC=1N
Computed Properties
- Exact Mass: 199.11109
- Monoisotopic Mass: 199.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 2.1
- Topological Polar Surface Area: 50.9?2
Experimental Properties
- PSA: 50.94
1,2-Benzenediamine, N-(6-methyl-3-pyridinyl)- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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