Cas no 80166-29-6 (Phosphorimidic triamide, N,N,N',N',N'',N''-hexabutyl-N'''-propyl-)
80166-29-6 structure
Product Name:Phosphorimidic triamide, N,N,N',N',N'',N''-hexabutyl-N'''-propyl-
CAS No:80166-29-6
MF:C27H61N4P
MW:472.773808240891
CID:706211
PubChem ID:71421303
Update Time:2025-04-19
Phosphorimidic triamide, N,N,N',N',N'',N''-hexabutyl-N'''-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Phosphorimidic triamide, N,N,N',N',N'',N''-hexabutyl-N'''-propyl-
- N-[bis(dibutylamino)-propylimino-λ<sup>5</sup>-phosphanyl]-N-butylbutan-1-amine
- DTXSID00840463
- 80166-29-6
- N,N,N',N',N'',N''-Hexabutyl-N'''-propylphosphorimidic triamide
-
- Inchi： 1S/C27H61N4P/c1-8-15-22-29(23-16-9-2)32(28-21-14-7,30(24-17-10-3)25-18-11-4)31(26-19-12-5)27-20-13-6/h8-27H2,1-7H3
- InChI Key： XKOTZXCKVQDQCO-UHFFFAOYSA-N
- SMILES： P(=NCCC)(N(CCCC)CCCC)(N(CCCC)CCCC)N(CCCC)CCCC
Computed Properties
- Exact Mass: 472.46338496g/mol
- Monoisotopic Mass: 472.46338496g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 23
- Complexity: 374
- 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: 9.2
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 31.89000
- LogP: 9.04920
Phosphorimidic triamide, N,N,N',N',N'',N''-hexabutyl-N'''-propyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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