Cas no 62614-26-0 (Phosphonic acid, (2-cyanoethyl)-, ethyl 1-methylethyl ester)
62614-26-0 structure
Product Name:Phosphonic acid, (2-cyanoethyl)-, ethyl 1-methylethyl ester
CAS No:62614-26-0
MF:C8H16NO3P
MW:205.191303253174
CID:438182
PubChem ID:71384631
Update Time:2025-04-19
Phosphonic acid, (2-cyanoethyl)-, ethyl 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Phosphonic acid, (2-cyanoethyl)-, ethyl 1-methylethyl ester
- 3-[ethoxy(propan-2-yloxy)phosphoryl]propanenitrile
- Ethyl propan-2-yl (2-cyanoethyl)phosphonate
- DTXSID20806884
- 62614-26-0
-
- Inchi： 1S/C8H16NO3P/c1-4-11-13(10,7-5-6-9)12-8(2)3/h8H,4-5,7H2,1-3H3
- InChI Key： BRTBIMIQQDBQQQ-UHFFFAOYSA-N
- SMILES： P(CCC#N)(=O)(OCC)OC(C)C
Computed Properties
- Exact Mass: 205.08688
- Monoisotopic Mass: 205.08678037g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
- LogP: 2.55468
Phosphonic acid, (2-cyanoethyl)-, ethyl 1-methylethyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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