Cas no 103683-20-1 (1-Dodecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt)
![1-Dodecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt structure](https://ossimg.kuujia.com/scimg/104000/103683-20-1x500.png)
103683-20-1 structure
Product Name:1-Dodecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt
CAS No:103683-20-1
MF:C22H46N2O4S
MW:434.676645755768
CID:125783
PubChem ID:2724496
Update Time:2025-04-18
1-Dodecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Dodecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt
- 3,5%solutioninwater
- AMMONIUM SULFOBETAINE-3, 5% SOLUTION IN WATER
- Ammonium sulfobetaine-3,5% solution in water
- 3-[acetyl-[3-[dodecyl(dimethyl)azaniumyl]propyl]amino]propane-1-sulfonate
- 103683-20-1
- AKOS015903953
-
- Inchi： 1S/C22H46N2O4S/c1-5-6-7-8-9-10-11-12-13-14-19-24(3,4)20-15-17-23(22(2)25)18-16-21-29(26,27)28/h5-21H2,1-4H3
- InChI Key： LMBGOEPJYGVLLH-UHFFFAOYSA-N
- SMILES： S(CCCN(C(C)=O)CCC[N+](C)(C)CCCCCCCCCCCC)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 434.31800
- Monoisotopic Mass: 434.318
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 18
- Complexity: 502
- 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
- Topological Polar Surface Area: 85.9A^2
- XLogP3: 4.9
Experimental Properties
- Color/Form: Not available
- PSA: 85.89000
- LogP: 5.23840
- Solubility: Not available
1-Dodecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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