Cas no 77851-17-3 (Benzene,(1-methylethyl)(2-phenylethyl)-)
77851-17-3 structure
Product Name:Benzene,(1-methylethyl)(2-phenylethyl)-
Benzene,(1-methylethyl)(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(1-methylethyl)(2-phenylethyl)-
- phenethylcumene
- 1-(2-phenylethyl)-2-(propan-2-yl)benzene
- 1,1'-(3-methylbutane-1,3-diyl)dibenzene
- 74381-61-6
- CHEMBL1542508
- AO-801/41077539
- SMR000528682
- Naphth(1,2-d)imidazol-8-ol
- 3H-benzo[e]benzimidazol-8-ol
- DTXSID80225375
- NAPHTH[1,2-D]IMIDAZOL-8-OL
- MLS000756326
- NCGC00246755-01
- NSC163920
- Benzene, (1-methylethyl)(2-phenylethyl)-
- NSC 163920
- NS00037617
- 77851-17-3
- NSC-163920
- EINECS 277-845-9
- 3h-naphtho[1,2-d]imidazol-8-ol
-
- Inchi: 1S/C11H8N2O/c14-8-3-1-7-2-4-10-11(9(7)5-8)13-6-12-10/h1-6,14H,(H,12,13)
- InChI Key: RPDZLMLGUVJIQG-UHFFFAOYSA-N
- SMILES: OC1C=CC2C=CC3=C(C=2C=1)N=CN3
Computed Properties
- Exact Mass: 184.063662883g/mol
- Monoisotopic Mass: 184.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 221
- 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: 2.4
- Topological Polar Surface Area: 48.9?2
Benzene,(1-methylethyl)(2-phenylethyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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