Cas no 5138-51-2 (1-Butanesulfonicacid, 3,3-dimethyl-, methyl ester)
5138-51-2 structure
Product Name:1-Butanesulfonicacid, 3,3-dimethyl-, methyl ester
CAS No:5138-51-2
MF:C11H25NO
MW:187.322303533554
CID:386807
PubChem ID:277618
Update Time:2025-04-19
1-Butanesulfonicacid, 3,3-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanesulfonicacid, 3,3-dimethyl-, methyl ester
- 2-(nonan-2-ylamino)ethanol
- 2-[(1-methyloctyl)amino]ethanol
- 2-[(Nonan-2-yl)amino]ethan-1-ol
- AKOS009297228
- SCHEMBL1619643
- NSC128262
- 5138-51-2
- EN300-165749
- DTXSID70298856
- 200348-30-7
- NSC-128262
-
- Inchi： 1S/C11H25NO/c1-3-4-5-6-7-8-11(2)12-9-10-13/h11-13H,3-10H2,1-2H3
- InChI Key： HQYIRIFFZWXTMV-UHFFFAOYSA-N
- SMILES： OCCNC(C)CCCCCCC
Computed Properties
- Exact Mass: 187.19375
- Monoisotopic Mass: 187.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 96.1
- 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: 3
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- Density: 0.863
- Boiling Point: 286.2°Cat760mmHg
- Flash Point: 66.5°C
- Refractive Index: 1.448
- PSA: 32.26
1-Butanesulfonicacid, 3,3-dimethyl-, methyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
5138-51-2 (1-Butanesulfonicacid, 3,3-dimethyl-, methyl ester) Related Products
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