Cas no 90202-82-7 (Phosphonic acid, piperidino-, ethyl methyl ester)
90202-82-7 structure
Product Name:Phosphonic acid, piperidino-, ethyl methyl ester
CAS No:90202-82-7
MF:C8H18NO3P
MW:207.207183361053
CID:2725198
PubChem ID:24841611
Update Time:2025-04-21
Phosphonic acid, piperidino-, ethyl methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-[ethoxy(methoxy)phosphoryl]piperidine
- 90202-82-7
- Phosphonic acid, piperidino-, ethyl methyl ester
- Piperidinophosphonic acid ethyl methyl ester
- BRN 1425587
- 5-20-03-00545 (Beilstein Handbook Reference)
-
- Inchi： 1S/C8H18NO3P/c1-3-12-13(10,11-2)9-7-5-4-6-8-9/h3-8H2,1-2H3
- InChI Key： GSMAFMVZTZRIIF-UHFFFAOYSA-N
- SMILES： P(N1CCCCC1)(=O)(OC)OCC
Computed Properties
- Exact Mass: 207.10243
- Monoisotopic Mass: 207.10243
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 192
- 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: 49.8
- XLogP3: 0.9
Experimental Properties
- PSA: 48.58000
- LogP: 2.20120
Phosphonic acid, piperidino-, ethyl methyl ester Related Literature
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Matthias J. Meel,Florian Hupka,Jan J. Weigand Dalton Trans., 2010,39, 624-631
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Aleksandra Marsh,Grazia Rovelli,Young-Chul Song,Kelly L. Pereira,Rose E. Willoughby,Bryan R. Bzdek,Jacqueline F. Hamilton,Andrew J. Orr-Ewing,David O. Topping,Jonathan P. Reid Faraday Discuss., 2017,200, 639-661
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Eduardo Troche-Pesqueira,Ignacio Pérez-Juste,Armando Navarro-Vázquez,María Magdalena Cid RSC Adv., 2013,3, 10242-10250
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