Cas no 25451-45-0 (1,3-Propanediol,2,2-di-p-tolyl-, dicarbamate (8CI))
25451-45-0 structure
Product Name:1,3-Propanediol,2,2-di-p-tolyl-, dicarbamate (8CI)
CAS No:25451-45-0
MF:C19H22N2O4
MW:342.388985157013
CID:272244
PubChem ID:213058
Update Time:2025-04-19
1,3-Propanediol,2,2-di-p-tolyl-, dicarbamate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2,2-di-p-tolyl-, dicarbamate (8CI)
- DTXSID80948335
- 2,2-Bis(4-methylphenyl)propane-1,3-diyl bis(hydrogen carbonimidate)
- 25451-45-0
- BRN 3005421
- 1,3-Propanediol, 2,2-di-p-tolyl-, dicarbamate
- 2,2-Di-p-tolyl-1,3-propanediol dicarbamate
-
- Inchi： 1S/C19H22N2O4/c1-13-3-7-15(8-4-13)19(11-24-17(20)22,12-25-18(21)23)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H2,20,22)(H2,21,23)
- InChI Key： SRTSKTCQURGSPI-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(COC(N)=O)(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 342.15806
- Monoisotopic Mass: 342.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 410
- 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
- Topological Polar Surface Area: 105?2
Experimental Properties
- Density: 1.211
- Boiling Point: 611.4°C at 760 mmHg
- Flash Point: 279.1°C
- Refractive Index: 1.579
- PSA: 104.64
1,3-Propanediol,2,2-di-p-tolyl-, dicarbamate (8CI) Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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