Cas no 21044-20-2 (Butyl-1,1-t2 alcohol(8CI))
Butyl-1,1-t2 alcohol(8CI) structure
Product Name:Butyl-1,1-t2 alcohol(8CI)
CAS No:21044-20-2
MF:C4H10O
MW:78.1378202438354
CID:241932
PubChem ID:102601927
Update Time:2025-04-19
Butyl-1,1-t2 alcohol(8CI) Chemical and Physical Properties
Names and Identifiers
-
- Butyl-1,1-t2 alcohol(8CI)
- BUTANOL, N-[1-3H]
- N-BUTANOL, [1-3H]
- Butanol,N-[1-3h]
- 21044-20-2
-
- Inchi： 1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i4T2
- InChI Key： LRHPLDYGYMQRHN-UFIFXRKYSA-N
- SMILES： OC([3H])([3H])CCC
Computed Properties
- Exact Mass: 78.09
- Monoisotopic Mass: 78.09
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 2
- Complexity: 13.1
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- PSA: 20.23000
- LogP: 0.77880
Butyl-1,1-t2 alcohol(8CI) Related Literature
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Gang Bian,Pingping Jiang,Weijie Zhang,Kelei Jiang,Ling Hu,Zhang Jian,Yirui Shen,Pingbo Zhang RSC Adv. 2015 5 90757
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Varadhi Govinda,Pannuru Venkatesu,Indra Bahadur Phys. Chem. Chem. Phys. 2016 18 8278
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Anett Juhász,üneri Haymana Serra,Csilla Lakatos,Bence Vadkerti,Anita Rágyanszki,?d?n Farkas,Sándor Kéki,Lajos Nagy New J. Chem. 2023 47 16096
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4. XLI.—Some condensations of n-butyl alcohol and n-butaldehydeCharles Weizmann,Stanley Frederick Garrard J. Chem. Soc. Trans. 1920 117 324
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Arno de Reviere,Dieter Gunst,Maarten K. Sabbe,Marie-Fran?oise Reyniers,An Verberckmoes Catal. Sci. Technol. 2021 11 2540
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