Cas no 73067-87-5 (Pentanediamide,N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]-, (S)- (9CI))
![Pentanediamide,N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]-, (S)- (9CI) structure](https://ossimg.kuujia.com/scimg/73500/73067-87-5x500.png)
73067-87-5 structure
Product Name:Pentanediamide,N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]-, (S)- (9CI)
CAS No:73067-87-5
MF:C27H55N5O3
MW:497.757307291031
CID:571268
PubChem ID:21149560
Update Time:2025-04-19
Pentanediamide,N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentanediamide,N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]-, (S)- (9CI)
- (2S)-N,N'-bis[3-(dimethylamino)propyl]-2-(dodecanoylamino)pentanediamide
- (S)-N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]glutaramide
- (S)-N,N'-Bis(3-(dimethylamino)propyl)-2-((1-oxododecyl)amino)glutaramide
- N~1~,N~5~-bis[3-(dimethylamino)propyl]-N~2~-dodecanoylglutamamide
- EINECS 277-269-8
- DTXSID90993831
- NS00059212
- 73067-87-5
- N~1~,N~5~-Bis[3-(dimethylamino)propyl]-2-[(1-hydroxydodecylidene)amino]pentanediimidic acid
-
- Inchi： 1S/C27H55N5O3/c1-6-7-8-9-10-11-12-13-14-17-26(34)30-24(27(35)29-21-16-23-32(4)5)18-19-25(33)28-20-15-22-31(2)3/h24H,6-23H2,1-5H3,(H,28,33)(H,29,35)(H,30,34)/t24-/m0/s1
- InChI Key： ZXLBXQMOLJCJSN-DEOSSOPVSA-N
- SMILES： O=C(CCCCCCCCCCC)N[C@H](C(NCCCN(C)C)=O)CCC(NCCCN(C)C)=O
Computed Properties
- Exact Mass: 497.43085
- Monoisotopic Mass: 497.43049063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 23
- Complexity: 555
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 93.8?2
Experimental Properties
- PSA: 93.78
Pentanediamide,N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]-, (S)- (9CI) 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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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