Cas no 121286-45-1 (Benzenamine,4-fluoro-2-methyl-6-(1-methylethyl)-)
121286-45-1 structure
Product Name:Benzenamine,4-fluoro-2-methyl-6-(1-methylethyl)-
CAS No:121286-45-1
MF:C10H14FN
MW:167.223266124725
CID:133299
PubChem ID:14460915
Update Time:2025-04-19
Benzenamine,4-fluoro-2-methyl-6-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine,4-fluoro-2-methyl-6-(1-methylethyl)-
- 4-fluoro-2-methyl-6-propan-2-ylaniline
- Benzenamine, 4-fluoro-2-methyl-6-(1-methylethyl)- (9CI)
- 121286-45-1
- DTXSID30560627
- 4-Fluoro-2-methyl-6-(propan-2-yl)aniline
- SCHEMBL21603341
-
- Inchi： 1S/C10H14FN/c1-6(2)9-5-8(11)4-7(3)10(9)12/h4-6H,12H2,1-3H3
- InChI Key： CKGWZGSROFLPAR-UHFFFAOYSA-N
- SMILES： FC1C=C(C)C(=C(C=1)C(C)C)N
Computed Properties
- Exact Mass: 167.11112
- Monoisotopic Mass: 167.111027613g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 147
- 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: 2.8
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine,4-fluoro-2-methyl-6-(1-methylethyl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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