Cas no 57859-31-1 (1,3-Propanediamine, N,N-dimethyl-N'-octadecyl-)
57859-31-1 structure
Product Name:1,3-Propanediamine, N,N-dimethyl-N'-octadecyl-
CAS No:57859-31-1
MF:C23H50N2
MW:354.656507015228
CID:343938
PubChem ID:19907949
Update Time:2025-04-19
1,3-Propanediamine, N,N-dimethyl-N'-octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N,N-dimethyl-N'-octadecyl-
- N',N'-dimethyl-N-octadecylpropane-1,3-diamine
- N~1~,N~1~-Dimethyl-N~3~-octadecylpropane-1,3-diamine
- SCHEMBL1131624
- DTXSID70601200
- 57859-31-1
-
- Inchi: 1S/C23H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25(2)3/h24H,4-23H2,1-3H3
- InChI Key: PUSFNJAULLXORZ-UHFFFAOYSA-N
- SMILES: N(CCCN(C)C)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 354.3977
- Monoisotopic Mass: 354.397399603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 21
- Complexity: 228
- 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
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- PSA: 15.27
1,3-Propanediamine, N,N-dimethyl-N'-octadecyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
57859-31-1 (1,3-Propanediamine, N,N-dimethyl-N'-octadecyl-) Related Products
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