Cas no 28727-50-6 (1,4-Benzenediamine,N-(1,3-dimethylbutyl)-N'-(methylphenyl)- (9CI))
28727-50-6 structure
Product Name:1,4-Benzenediamine,N-(1,3-dimethylbutyl)-N'-(methylphenyl)- (9CI)
CAS No:28727-50-6
MF:C19H26N2
MW:282.423144817352
CID:267630
PubChem ID:120033
Update Time:2025-04-19
1,4-Benzenediamine,N-(1,3-dimethylbutyl)-N'-(methylphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediamine,N-(1,3-dimethylbutyl)-N'-(methylphenyl)- (9CI)
- N-(1,3-Dimethylbutyl)-N'-(methylphenyl)benzene-1,4-diamine
- N-methyl-N'-(4-methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
- N~1~-Methyl-N~4~-(4-methylpentan-2-yl)-N~1~-phenylbenzene-1,4-diamine
- DTXSID00951381
- 28727-50-6
- EINECS 249-191-4
-
- Inchi： 1S/C19H26N2/c1-15(2)14-16(3)20-17-10-12-19(13-11-17)21(4)18-8-6-5-7-9-18/h5-13,15-16,20H,14H2,1-4H3
- InChI Key： ZOFUXTSUKQYRQX-UHFFFAOYSA-N
- SMILES： N(C1C=CC(=CC=1)N(C)C1C=CC=CC=1)C(C)CC(C)C
Computed Properties
- Exact Mass: 282.20978
- Monoisotopic Mass: 282.21
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- Density: 1.02
- Boiling Point: 421.8°Cat760mmHg
- Flash Point: 151.7°C
- Refractive Index: 1.587
- PSA: 24.06
1,4-Benzenediamine,N-(1,3-dimethylbutyl)-N'-(methylphenyl)- (9CI) Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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