Cas no 90390-31-1 (N-(3,5-difluorobenzyl)butan-1-amine)
90390-31-1 structure
Product Name:N-(3,5-difluorobenzyl)butan-1-amine
CAS No:90390-31-1
MF:C11H15F2N
MW:199.24030995369
CID:1950317
PubChem ID:457614
Update Time:2025-04-21
N-(3,5-difluorobenzyl)butan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- N-(3,5-difluorobenzyl)butan-1-amine
- Benzenemethanamine, N-butyl-3,5-difluoro-
- CHEMBL1182994
- DTXCID30160641
- DTXSID10238150
- N-[(3,5-difluorophenyl)methyl]butan-1-amine
- 90390-31-1
-
- Inchi： 1S/C11H15F2N/c1-2-3-4-14-8-9-5-10(12)7-11(13)6-9/h5-7,14H,2-4,8H2,1H3
- InChI Key： MRVMVGPOWMSSDI-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)CNCCCC)F
Computed Properties
- Exact Mass: 199.117
- Monoisotopic Mass: 199.117
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 142
- 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: 2.7
- Topological Polar Surface Area: 12?2
Experimental Properties
- Density: 1.054
- Boiling Point: 225.8°C at 760 mmHg
- Flash Point: 90.4°C
- Refractive Index: 1.475
N-(3,5-difluorobenzyl)butan-1-amine Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
90390-31-1 (N-(3,5-difluorobenzyl)butan-1-amine) Related Products
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