Cas no 37557-98-5 (1-Isopropyl-5-phenyl-biguanide)
37557-98-5 structure
Product Name:1-Isopropyl-5-phenyl-biguanide
CAS No:37557-98-5
MF:C11H17N5
MW:219.286181211472
CID:2938719
Update Time:2023-08-10
1-Isopropyl-5-phenyl-biguanide Chemical and Physical Properties
Names and Identifiers
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- 1-isopropyl-5-phenyl-biguanide
- 1-Isopropyl-5-phenyl-biguanide
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- Inchi: 1S/C11H17N5/c1-8(2)14-10(12)16-11(13)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H5,12,13,14,15,16)
- InChI Key: MBJBAEJPGXZCJH-UHFFFAOYSA-N
- SMILES: N(=C(/N)\N=C(/N)\NC1C=CC=CC=1)/C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 264
- XLogP3: 0.9
- Topological Polar Surface Area: 88.8
1-Isopropyl-5-phenyl-biguanide Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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