Cas no 156694-49-4 (1H-Isoindole-4,5-diamine,2,3-dihydro-2-methyl-)
156694-49-4 structure
Product Name:1H-Isoindole-4,5-diamine,2,3-dihydro-2-methyl-
CAS No:156694-49-4
MF:C9H13N3
MW:163.219621419907
CID:107548
PubChem ID:22742453
Update Time:2025-04-18
1H-Isoindole-4,5-diamine,2,3-dihydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-4,5-diamine,2,3-dihydro-2-methyl-
- 1H-Isoindole-4,5-diamine, 2,3-dihydro-2-methyl-
- 2-methyl-2,3-dihydro-1H-isoindole-4,5-diamine
- SCHEMBL6784369
- 2-methyl-1,3-dihydroisoindole-4,5-diamine
- 2-Methylisoindoline-4,5-diamine
- 156694-49-4
-
- Inchi： 1S/C9H13N3/c1-12-4-6-2-3-8(10)9(11)7(6)5-12/h2-3H,4-5,10-11H2,1H3
- InChI Key： UGGNLJBEFFEQOP-UHFFFAOYSA-N
- SMILES： N1(C)CC2C=CC(=C(C=2C1)N)N
Computed Properties
- Exact Mass: 163.11109
- Monoisotopic Mass: 163.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 171
- 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: 55.3A^2
- XLogP3: 0
Experimental Properties
- PSA: 55.28
1H-Isoindole-4,5-diamine,2,3-dihydro-2-methyl- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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