Cas no 7549-58-8 (Phosphonic acid, (cyanomethyl)-, dibutyl ester)
7549-58-8 structure
Product Name:Phosphonic acid, (cyanomethyl)-, dibutyl ester
CAS No:7549-58-8
MF:C10H20NO3P
MW:233.244463920593
CID:539454
PubChem ID:2304643
Update Time:2025-04-19
Phosphonic acid, (cyanomethyl)-, dibutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (cyanomethyl)-, dibutyl ester
- 2-dibutoxyphosphorylacetonitrile
- 7549-58-8
- DTXSID90367912
- SCHEMBL15318997
-
- Inchi： 1S/C10H20NO3P/c1-3-5-8-13-15(12,10-7-11)14-9-6-4-2/h3-6,8-10H2,1-2H3
- InChI Key： ZYNRYCAGYPJKAZ-UHFFFAOYSA-N
- SMILES： P(CC#N)(=O)(OCCCC)OCCCC
Computed Properties
- Exact Mass: 233.1182
- Monoisotopic Mass: 233.11808050g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 232
- 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: 1.8
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
- LogP: 3.33648
Phosphonic acid, (cyanomethyl)-, dibutyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
7549-58-8 (Phosphonic acid, (cyanomethyl)-, dibutyl ester) Related Products
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- 2537-48-6(Diethyl Cyanomethylphosphonate)
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- 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)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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