Cas no 67774-28-1 (Phosphoric acid, bis(1-methylethyl) propyl ester)
67774-28-1 structure
Product Name:Phosphoric acid, bis(1-methylethyl) propyl ester
CAS No:67774-28-1
MF:C9H21O4P
MW:224.234404325485
CID:394130
PubChem ID:22497653
Update Time:2025-04-19
Phosphoric acid, bis(1-methylethyl) propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid, bis(1-methylethyl) propyl ester
- dipropan-2-yl propyl phosphate
- SCHEMBL3823577
- 67774-28-1
- DTXSID40626228
-
- Inchi： 1S/C9H21O4P/c1-6-7-11-14(10,12-8(2)3)13-9(4)5/h8-9H,6-7H2,1-5H3
- InChI Key： ZSXKVNRFPUOGLJ-UHFFFAOYSA-N
- SMILES： P(=O)(OCCC)(OC(C)C)OC(C)C
Computed Properties
- Exact Mass: 224.11783
- Monoisotopic Mass: 224.11774614g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 177
- 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: 2
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Phosphoric acid, bis(1-methylethyl) propyl ester Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
67774-28-1 (Phosphoric acid, bis(1-methylethyl) propyl ester) Related Products
- 1623-24-1(Isopropyl dihydrogen phosphate)
- 513-08-6(Phosphoric Acid Tripropyl Ester)
- 33494-81-4(Di-tert-butyl Phosphate)
- 513-02-0(Triisopropyl Phosphate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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