Cas no 725237-17-2 (1-Propanol,3-(3-amino-5-methoxyphenoxy)-)
725237-17-2 structure
Product Name:1-Propanol,3-(3-amino-5-methoxyphenoxy)-
CAS No:725237-17-2
MF:C10H15NO3
MW:197.231003046036
CID:558761
Update Time:2024-03-05
1-Propanol,3-(3-amino-5-methoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
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- 1-Propanol,3-(3-amino-5-methoxyphenoxy)-
- 1-Propanol,3-(3-amino-5-methoxyphenoxy)-(9CI)
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- Inchi： 1S/C10H15NO3/c1-13-9-5-8(11)6-10(7-9)14-4-2-3-12/h5-7,12H,2-4,11H2,1H3
- InChI Key： FRJWDUQAEYICDL-UHFFFAOYSA-N
- SMILES： C(O)CCOC1=CC(OC)=CC(N)=C1
Computed Properties
- Exact Mass: 197.105
- Monoisotopic Mass: 197.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 154
- 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
- Topological Polar Surface Area: 64.7A^2
1-Propanol,3-(3-amino-5-methoxyphenoxy)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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