Cas no 705-00-0 (2-Propanol, 1-[(3-amino-4-pyridinyl)amino]-)
![2-Propanol, 1-[(3-amino-4-pyridinyl)amino]- structure](https://ossimg.kuujia.com/scimg/1000/705-00-0x500.png)
705-00-0 structure
Product Name:2-Propanol, 1-[(3-amino-4-pyridinyl)amino]-
CAS No:705-00-0
MF:C8H13N3O
MW:167.208321332932
CID:547136
PubChem ID:43498905
Update Time:2025-04-19
2-Propanol, 1-[(3-amino-4-pyridinyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-[(3-amino-4-pyridinyl)amino]-
- 1-[(3-aminopyridin-4-yl)amino]propan-2-ol
- 705-00-0
- DTXSID80656084
-
- Inchi： 1S/C8H13N3O/c1-6(12)4-11-8-2-3-10-5-7(8)9/h2-3,5-6,12H,4,9H2,1H3,(H,10,11)
- InChI Key： VFQNQVKPTIHGIP-UHFFFAOYSA-N
- SMILES： OC(C)CNC1C=CN=CC=1N
Computed Properties
- Exact Mass: 167.10599
- Monoisotopic Mass: 167.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 71.2A^2
- XLogP3: -0.1
Experimental Properties
- PSA: 71.17
2-Propanol, 1-[(3-amino-4-pyridinyl)amino]- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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