Cas no 61657-51-0 (1,3-Benzenediamine, 4-methyl-N,N'-bis(phenylcarbonimidoyl)-)
61657-51-0 structure
Product Name:1,3-Benzenediamine, 4-methyl-N,N'-bis(phenylcarbonimidoyl)-
CAS No:61657-51-0
MF:C21H20N4
MW:328.410304069519
CID:471117
PubChem ID:71393670
Update Time:2025-04-19
1,3-Benzenediamine, 4-methyl-N,N'-bis(phenylcarbonimidoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine, 4-methyl-N,N'-bis(phenylcarbonimidoyl)-
- N'-[3-[[amino(phenyl)methylidene]amino]-4-methylphenyl]benzenecarboximidamide
- DTXSID30815427
- N',N''-(4-Methyl-1,3-phenylene)dibenzenecarboximidamide
- 61657-51-0
-
- Inchi： 1S/C21H20N4/c1-15-12-13-18(24-20(22)16-8-4-2-5-9-16)14-19(15)25-21(23)17-10-6-3-7-11-17/h2-14H,1H3,(H2,22,24)(H2,23,25)
- InChI Key： ZEEPQJFYJJWPQE-UHFFFAOYSA-N
- SMILES： N(=C(/C1C=CC=CC=1)\N)\C1C=C(C=CC=1C)/N=C(/C1C=CC=CC=1)\N
Computed Properties
- Exact Mass: 328.169
- Monoisotopic Mass: 328.16879665g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 472
- 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: 3.7
- Topological Polar Surface Area: 76.8?2
Experimental Properties
- PSA: 71.76
1,3-Benzenediamine, 4-methyl-N,N'-bis(phenylcarbonimidoyl)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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