Cas no 1020173-07-2 (4-Methyl-3-(3-pyridinyloxy)Benzenamine)
1020173-07-2 structure
Product Name:4-Methyl-3-(3-pyridinyloxy)Benzenamine
CAS No:1020173-07-2
MF:C12H12N2O
MW:200.236482620239
CID:2107204
Update Time:2023-08-03
4-Methyl-3-(3-pyridinyloxy)Benzenamine Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-3-(3-pyridinyloxy)Benzenamine
- VLWLMFRVVVYYCU-UHFFFAOYSA-N
- 4-methyl-3-(pyridin-3-yloxy)benzenamine
- 4-Methyl-3-(3-pyridinyloxy)Benzenamine
-
- Inchi： 1S/C12H12N2O/c1-9-4-5-10(13)7-12(9)15-11-3-2-6-14-8-11/h2-8H,13H2,1H3
- InChI Key： VLWLMFRVVVYYCU-UHFFFAOYSA-N
- SMILES： O(C1C=NC=CC=1)C1C=C(C=CC=1C)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 198
- Topological Polar Surface Area: 48.1
4-Methyl-3-(3-pyridinyloxy)Benzenamine Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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