Cas no 59066-90-9 (1-Propanamine, 3,3-dimethoxy-N-propyl-)
59066-90-9 structure
Product Name:1-Propanamine, 3,3-dimethoxy-N-propyl-
CAS No:59066-90-9
MF:C8H19NO2
MW:161.24196267128
CID:339989
PubChem ID:71443182
Update Time:2025-04-19
1-Propanamine, 3,3-dimethoxy-N-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanamine, 3,3-dimethoxy-N-propyl-
- 3,3-dimethoxy-N-propylpropan-1-amine
- 59066-90-9
- DTXSID10852017
-
- Inchi： 1S/C8H19NO2/c1-4-6-9-7-5-8(10-2)11-3/h8-9H,4-7H2,1-3H3
- InChI Key： ZNLWSJYZRSCVEU-UHFFFAOYSA-N
- SMILES： O(C)C(CCNCCC)OC
Computed Properties
- Exact Mass: 161.14167
- Monoisotopic Mass: 161.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 74.5
- 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: 0.9
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 30.49
1-Propanamine, 3,3-dimethoxy-N-propyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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