Cas no 58293-40-6 (1,3-Propanediamine, N,N'-dimethyl-N,N'-dioctyl-)
58293-40-6 structure
Product Name:1,3-Propanediamine, N,N'-dimethyl-N,N'-dioctyl-
CAS No:58293-40-6
MF:C21H46N2
MW:326.603346347809
CID:342580
PubChem ID:13398916
Update Time:2025-04-19
1,3-Propanediamine, N,N'-dimethyl-N,N'-dioctyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N,N'-dimethyl-N,N'-dioctyl-
- N,N'-dimethyl-N,N'-dioctylpropane-1,3-diamine
- N~1~,N~3~-Dimethyl-N~1~,N~3~-dioctylpropane-1,3-diamine
- DTXSID40539349
- SCHEMBL9491977
- 58293-40-6
-
- Inchi: 1S/C21H46N2/c1-5-7-9-11-13-15-18-22(3)20-17-21-23(4)19-16-14-12-10-8-6-2/h5-21H2,1-4H3
- InChI Key: FLQWOBCKIDGRRB-UHFFFAOYSA-N
- SMILES: N(C)(CCCCCCCC)CCCN(C)CCCCCCCC
Computed Properties
- Exact Mass: 326.36638
- Monoisotopic Mass: 326.366099476g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 18
- Complexity: 196
- 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: 7.5
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
1,3-Propanediamine, N,N'-dimethyl-N,N'-dioctyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
58293-40-6 (1,3-Propanediamine, N,N'-dimethyl-N,N'-dioctyl-) Related Products
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