Cas no 648942-40-9 (Benzenamine, 4-(1,1-dimethylpropyl)-2-fluoro-)
648942-40-9 structure
Product Name:Benzenamine, 4-(1,1-dimethylpropyl)-2-fluoro-
CAS No:648942-40-9
MF:C11H16FN
MW:181.249846458435
CID:411827
PubChem ID:23069447
Update Time:2025-04-19
Benzenamine, 4-(1,1-dimethylpropyl)-2-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-(1,1-dimethylpropyl)-2-fluoro-
- 2-fluoro-4-(2-methylbutan-2-yl)aniline
- SCHEMBL4825997
- 648942-40-9
- DTXSID40630209
-
- Inchi： 1S/C11H16FN/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7H,4,13H2,1-3H3
- InChI Key： SQTXCLCEVLAGHQ-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(=C1)C(C)(C)CC)N
Computed Properties
- Exact Mass: 181.12678
- Monoisotopic Mass: 181.126677677g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 168
- 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: 3.6
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine, 4-(1,1-dimethylpropyl)-2-fluoro- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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