Cas no 89444-84-8 (Benzenamine, 3-methoxy-5-methyl-, acetate)
89444-84-8 structure
Product Name:Benzenamine, 3-methoxy-5-methyl-, acetate
CAS No:89444-84-8
MF:C10H15NO3
MW:197.231003046036
CID:600390
PubChem ID:71324296
Update Time:2025-04-19
Benzenamine, 3-methoxy-5-methyl-, acetate Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 3-methoxy-5-methyl-, acetate
- acetic acid,3-methoxy-5-methylaniline
- 89444-84-8
- Acetic acid--3-methoxy-5-methylaniline (1/1)
- DTXSID40753785
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- Inchi： 1S/C8H11NO.C2H4O2/c1-6-3-7(9)5-8(4-6)10-2;1-2(3)4/h3-5H,9H2,1-2H3;1H3,(H,3,4)
- InChI Key： NZJBVGXYESIOGG-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=CC(C)=C1)N.OC(C)=O
Computed Properties
- Exact Mass: 197.10519334g/mol
- Monoisotopic Mass: 197.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 137
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.6?2
Benzenamine, 3-methoxy-5-methyl-, acetate Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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3. 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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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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