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85095-61-0

85095-61-0 | 1,1,1,1-Tetramethyl-4,4-(methylenedi-p-phenylene)disemicarbazide , 95%

CAS No: 85095-61-0 Catalog No: AG003D4X MDL No:MFCD00525631

Product Description

Catalog Number:
AG003D4X
Chemical Name:
1,1,1,1-Tetramethyl-4,4-(methylenedi-p-phenylene)disemicarbazide , 95%
CAS Number:
85095-61-0
Molecular Formula:
C19H26N6O2
Molecular Weight:
370.4487
MDL Number:
MFCD00525631
IUPAC Name:
1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea
InChI:
InChI=1S/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)
InChI Key:
AQABZFKTYXFIJF-UHFFFAOYSA-N
SMILES:
CN(NC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NN(C)C)C

Properties

Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.212g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
370.457g/mol
Monoisotopic Mass:
370.212g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Identification of antiyellowing agents as precursors of N-nitrosodimethylamine production on ozonation from sewage treatment plant influent. Environmental science & technology 20090715

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