Cas no 62221-53-8 (1,2-Propanediol, 3-[bis(3-aminopropyl)amino]-)
![1,2-Propanediol, 3-[bis(3-aminopropyl)amino]- structure](https://ossimg.kuujia.com/scimg/62500/62221-53-8x500.png)
62221-53-8 structure
Product Name:1,2-Propanediol, 3-[bis(3-aminopropyl)amino]-
CAS No:62221-53-8
MF:C9H23N3O2
MW:205.297822237015
CID:453837
PubChem ID:23467826
Update Time:2025-04-19
1,2-Propanediol, 3-[bis(3-aminopropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3-[bis(3-aminopropyl)amino]-
- 3-[bis(3-aminopropyl)amino]-1,2-Propanediol
- 3-[bis(3-aminopropyl)amino]propane-1,2-diol
- FT-0716772
- 62221-53-8
- SCHEMBL11406047
- DTXSID10634436
-
- Inchi： 1S/C9H23N3O2/c10-3-1-5-12(6-2-4-11)7-9(14)8-13/h9,13-14H,1-8,10-11H2
- InChI Key： YARJMVZKVOXUFC-UHFFFAOYSA-N
- SMILES： OC(CO)CN(CCCN)CCCN
Computed Properties
- Exact Mass: 205.17919
- Monoisotopic Mass: 205.17902698g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 117
- 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
- XLogP3: -2.2
- Topological Polar Surface Area: 95.7?2
Experimental Properties
- PSA: 95.74
1,2-Propanediol, 3-[bis(3-aminopropyl)amino]- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
62221-53-8 (1,2-Propanediol, 3-[bis(3-aminopropyl)amino]-) Related Products
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