Cas no 120546-60-3 (7,8-Isoquinolinediamine)
7,8-Isoquinolinediamine structure
Product Name:7,8-Isoquinolinediamine
CAS No:120546-60-3
MF:C9H9N3
MW:159.187861204147
CID:104978
PubChem ID:14660285
Update Time:2025-04-18
7,8-Isoquinolinediamine Chemical and Physical Properties
Names and Identifiers
-
- 7,8-Isoquinolinediamine
- isoquinoline-7,8-diamine
- DTXSID40562697
- 120546-60-3
-
- Inchi： 1S/C9H9N3/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-5H,10-11H2
- InChI Key： SOQHILJLESCVHP-UHFFFAOYSA-N
- SMILES： NC1=C(C=CC2C=CN=CC=21)N
Computed Properties
- Exact Mass: 159.07977
- Monoisotopic Mass: 159.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 0.7
- Topological Polar Surface Area: 64.9?2
Experimental Properties
- PSA: 64.93
7,8-Isoquinolinediamine Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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