Cas no 64884-78-2 (Benzenesulfonic acid,4-methyl-, 2-(1-butylpentylidene)hydrazide)
64884-78-2 structure
Product Name:Benzenesulfonic acid,4-methyl-, 2-(1-butylpentylidene)hydrazide
CAS No:64884-78-2
MF:C16H26N2O2S
MW:310.454843044281
CID:505688
PubChem ID:280420
Update Time:2025-04-19
Benzenesulfonic acid,4-methyl-, 2-(1-butylpentylidene)hydrazide Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-methyl-, 2-(1-butylpentylidene)hydrazide
- 3-(4-butylphenoxy)propane-1,2-diol
- NSC-132027
- NSC132027
- 64884-78-2
- DTXSID60983461
- 4-Methyl-N'-(nonan-5-ylidene)benzene-1-sulfonohydrazide
-
- Inchi： 1S/C16H26N2O2S/c1-4-6-8-15(9-7-5-2)17-18-21(19,20)16-12-10-14(3)11-13-16/h10-13,18H,4-9H2,1-3H3
- InChI Key： QLYAYUHWZKWDCX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N/N=C(\CCCC)/CCCC)(=O)=O
Computed Properties
- Exact Mass: 310.171
- Monoisotopic Mass: 310.171
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 9
- Complexity: 395
- 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: 4.2
- Topological Polar Surface Area: 66.9?2
Experimental Properties
- Density: 1.07
- Boiling Point: 430.1°Cat760mmHg
- Flash Point: 213.9°C
- Refractive Index: 1.528
- PSA: 66.91000
- LogP: 5.48140
Benzenesulfonic acid,4-methyl-, 2-(1-butylpentylidene)hydrazide Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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