Cas no 63566-37-0 (Isostearamidopropyl betaine)
Isostearamidopropyl betaine structure
Product Name:Isostearamidopropyl betaine
CAS No:63566-37-0
MF:C25H50N2O3
MW:426.676107883453
CID:513272
Update Time:2023-08-02
Isostearamidopropyl betaine Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxoisooctadecyl)amino]-, inner salt (9CI)
- SchercotaineIAB
- ACETONE-1,1,1-D3
- isostearamidopropyl betaine
- 22W0P0GRB7
- Obazoline isab
- Schercotaine iab
- Mackam isa
- Isostearamidopropyl betaine [INCI]
- Q27253677
- 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxoisooctadecyl)amino)-, inner salt
- Isostearamidopropyl betaine
-
- Inchi： 1S/C25H50N2O3/c1-23(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-24(28)26-20-17-21-27(3,4)22-25(29)30/h23H,5-22H2,1-4H3,(H-,26,28,29,30)
- InChI Key： LMVGXBRDRZOPHA-UHFFFAOYSA-N
- SMILES： [O-]C(C[N+](C)(C)CCCNC(CCCCCCCCCCCCCCC(C)C)=O)=O
Computed Properties
- Exact Mass: 440.398
- Monoisotopic Mass: 440.398
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 20
- Complexity: 431
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.2
Isostearamidopropyl betaine Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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