Cas no 55100-03-3 (N-(tetrahydrofuran-2-ylmethyl)butan-1-amine)
55100-03-3 structure
Product Name:N-(tetrahydrofuran-2-ylmethyl)butan-1-amine
CAS No:55100-03-3
MF:C9H19NO
MW:157.253262758255
CID:943353
PubChem ID:263177
Update Time:2025-04-19
N-(tetrahydrofuran-2-ylmethyl)butan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- N-(tetrahydrofuran-2-ylmethyl)butan-1-amine
- HMS2885I10
- SCHEMBL12846940
- MLS000737191
- AKOS000243343
- NSC-97538
- DTXSID00294644
- N-((Tetrahydrofuran-2-yl)methyl)butan-1-amine
- AKOS017277536
- 55100-03-3
- N-(oxolan-2-ylmethyl)butan-1-amine
- A830698
- CHEMBL1431284
- NSC97538
- SMR000528454
-
- Inchi： 1S/C9H19NO/c1-2-3-6-10-8-9-5-4-7-11-9/h9-10H,2-8H2,1H3
- InChI Key： YKUOFUJTZXBNMD-UHFFFAOYSA-N
- SMILES： O1CCCC1CNCCCC
Computed Properties
- Exact Mass: 157.14677
- Monoisotopic Mass: 157.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 95.6
- 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: 1.5
- Topological Polar Surface Area: 21.3?2
Experimental Properties
- PSA: 21.26
N-(tetrahydrofuran-2-ylmethyl)butan-1-amine Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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