Cas no 344595-76-2 (Benzonitrile, 2,3-diamino-4,6-dimethyl-)
344595-76-2 structure
Product Name:Benzonitrile, 2,3-diamino-4,6-dimethyl-
CAS No:344595-76-2
MF:C9H11N3
MW:161.203741312027
CID:919206
PubChem ID:11469238
Update Time:2025-04-19
Benzonitrile, 2,3-diamino-4,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2,3-diamino-4,6-dimethyl-
- 2,3-diamino-4,6-dimethylbenzonitrile
- 2,3-diamino-4,6-dimethyl-benzonitrile
- Benzonitrile, 2,3-diamino-4,6-dimethyl-
- DB-274626
- DTXSID40466808
- 344595-76-2
-
- Inchi： 1S/C9H11N3/c1-5-3-6(2)8(11)9(12)7(5)4-10/h3H,11-12H2,1-2H3
- InChI Key： MMXRUEODEADSFO-UHFFFAOYSA-N
- SMILES： NC1C(=C(C#N)C(C)=CC=1C)N
Computed Properties
- Exact Mass: 161.095297364g/mol
- Monoisotopic Mass: 161.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 205
- 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: 1.6
- Topological Polar Surface Area: 75.8?2
Benzonitrile, 2,3-diamino-4,6-dimethyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
344595-76-2 (Benzonitrile, 2,3-diamino-4,6-dimethyl-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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