Cas no 918812-89-2 (1,6-Isoquinolinediamine, 4-methyl-)
918812-89-2 structure
Product Name:1,6-Isoquinolinediamine, 4-methyl-
CAS No:918812-89-2
MF:C10H11N3
MW:173.214441537857
CID:770610
PubChem ID:58789251
Update Time:2025-04-19
1,6-Isoquinolinediamine, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Isoquinolinediamine, 4-methyl-
- 4-methylisoquinoline-1,6-diamine
- DTXSID70730089
- NBILLUNHXMRDDT-UHFFFAOYSA-N
- 918812-89-2
- SCHEMBL4611696
-
- Inchi： 1S/C10H11N3/c1-6-5-13-10(12)8-3-2-7(11)4-9(6)8/h2-5H,11H2,1H3,(H2,12,13)
- InChI Key： NBILLUNHXMRDDT-UHFFFAOYSA-N
- SMILES： N1C=C(C)C2C=C(C=CC=2C=1N)N
Computed Properties
- Exact Mass: 173.095297364g/mol
- Monoisotopic Mass: 173.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 183
- 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: 1.4
- Topological Polar Surface Area: 64.9?2
1,6-Isoquinolinediamine, 4-methyl- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
918812-89-2 (1,6-Isoquinolinediamine, 4-methyl-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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