Cas no 5459-79-0 (N,n-dibenzyl-4-methylaniline)
N,n-dibenzyl-4-methylaniline structure
Product Name:N,n-dibenzyl-4-methylaniline
CAS No:5459-79-0
MF:C21H21N
MW:287.398145437241
CID:1589920
PubChem ID:221519
Update Time:2025-04-21
N,n-dibenzyl-4-methylaniline Chemical and Physical Properties
Names and Identifiers
-
- N,n-dibenzyl-4-methylaniline
- AC1Q2AOB
- benzenemethanamine, n-(4-methylphenyl)-n-(phenylmethyl)-
- N,N-dibenzyl-4-methylphenylamine
- (p-MeC6H4)N(Bn)2
- NCIStruc1_000314
- AC1L5ADY
- N,N-Dibenzyl-4-methylbenzenamine
- NCIStruc2_000032
- dibenzyl-(p-tolyl)-amine
- N,N-dibenzyl-p-toluidine
- N,N-dibenzyl-p-methylaniline
- NSC6246
- dibenzyl(p-tolyl)amine
- AC1Q2AOB; benzenemethanamine, n-(4-methylphenyl)-n-(phenylmethyl)-; N,N-dibenzyl-4-methylphenylamine; (p-MeC6H4)N(Bn)2; NCIStruc1_000314; AC1L5ADY; N,N-Dibenzyl-4-methylbenzenamine; NCIStruc2_000032; dibenzyl-(p-tolyl)-amine; N,N-dibenzyl-p-toluidine; N,N-dibenzyl-p-methylaniline; NSC6246; dibenzyl(p-tolyl)amine;
- NCGC00013070-02
- NCGC00096194-01
- NCI60_007459
- DTXSID20278123
- NSC 6246
- NCGC00013070
- CCG-37753
- NSC-6246
- 5459-79-0
- SCHEMBL11136763
- NCI6246
- CHEMBL428901
-
- Inchi： 1S/C21H21N/c1-18-12-14-21(15-13-18)22(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
- InChI Key： ZNNCXSVPJQOPBZ-UHFFFAOYSA-N
- SMILES： N(C1C=CC(C)=CC=1)(CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 287.16753
- Monoisotopic Mass: 287.1674
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 273
- 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
- Topological Polar Surface Area: 3.2
- XLogP3: 5.4
Experimental Properties
- Density: 1.084
- Boiling Point: 452.6°C at 760 mmHg
- Flash Point: 181.3°C
- Refractive Index: 1.63
- PSA: 3.24
- LogP: 5.20180
N,n-dibenzyl-4-methylaniline Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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