Cas no 82-87-1 (Benzenamine,4,4'-(phenylmethylene)bis[2-methyl-)
82-87-1 structure
Product Name:Benzenamine,4,4'-(phenylmethylene)bis[2-methyl-
Benzenamine,4,4'-(phenylmethylene)bis[2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-benzylidenedi-o-toluidine
- 4-[(4-amino-3-methylphenyl)-phenylmethyl]-2-methylaniline
- SCHEMBL743578
- 4,4'-(Phenylmethylene)bis[2-methylbenzenamine]
- DTXSID7058884
- R6TB48QNF5
- Benzenamine, 4,4'-(phenylmethylene)bis[2-methyl-
- NS00038225
- EINECS 201-442-9
- Benzenamine, 4,4'-(phenylmethylene)bis(2-methyl-
- 82-87-1
- Benzenamine,4,4'-(phenylmethylene)bis[2-methyl-
-
- Inchi： 1S/C21H22N2/c1-14-12-17(8-10-19(14)22)21(16-6-4-3-5-7-16)18-9-11-20(23)15(2)13-18/h3-13,21H,22-23H2,1-2H3
- InChI Key： FANQUUGICQRGJV-UHFFFAOYSA-N
- SMILES： NC1C=CC(=CC=1C)C(C1C=CC=CC=1)C1C=CC(=C(C)C=1)N
Computed Properties
- Exact Mass: 302.178
- Monoisotopic Mass: 302.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 337
- 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: 4.1
- Topological Polar Surface Area: 52A^2
Experimental Properties
- Density: 1.12
- Boiling Point: 492°C at 760 mmHg
- Flash Point: 302.1°C
- Refractive Index: 1.647
Benzenamine,4,4'-(phenylmethylene)bis[2-methyl- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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