Cas no 104093-14-3 (1,4-Benzenediamine,N1,N4-bis(1-ethyl-4-methylpentyl)-)
104093-14-3 structure
Product Name:1,4-Benzenediamine,N1,N4-bis(1-ethyl-4-methylpentyl)-
1,4-Benzenediamine,N1,N4-bis(1-ethyl-4-methylpentyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenediamine,N1,N4-bis(1-ethyl-4-methylpentyl)-
- 1-N,4-N-bis(6-methylheptan-3-yl)benzene-1,4-diamine
- 104093-14-3
- N~1~,N~4~-Bis(6-methylheptan-3-yl)benzene-1,4-diamine
- DTXSID80908792
- p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)-
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- Inchi： 1S/C22H40N2/c1-7-19(11-9-17(3)4)23-21-13-15-22(16-14-21)24-20(8-2)12-10-18(5)6/h13-20,23-24H,7-12H2,1-6H3
- InChI Key： BKNKXTSOZMNBKD-UHFFFAOYSA-N
- SMILES： N(C1C=CC(=CC=1)NC(CC)CCC(C)C)C(CC)CCC(C)C
Computed Properties
- Exact Mass: 332.3194
- Monoisotopic Mass: 332.319149
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 12
- Complexity: 262
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 24.1
- XLogP3: 7.9
Experimental Properties
- Density: 0.921
- Boiling Point: 448.2°C at 760 mmHg
- Flash Point: 250.1°C
- Refractive Index: 1.522
- PSA: 24.06
- LogP: 7.08600
1,4-Benzenediamine,N1,N4-bis(1-ethyl-4-methylpentyl)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
104093-14-3 (1,4-Benzenediamine,N1,N4-bis(1-ethyl-4-methylpentyl)-) Related Products
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