Cas no 25462-35-5 (p-Cymene-9,10-diol,dicarbamate (8CI))
25462-35-5 structure
Product Name:p-Cymene-9,10-diol,dicarbamate (8CI)
CAS No:25462-35-5
MF:C12H16N2O4
MW:252.266443252563
CID:259635
PubChem ID:213083
Update Time:2025-04-19
p-Cymene-9,10-diol,dicarbamate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- p-Cymene-9,10-diol,dicarbamate (8CI)
- p-Cymene-9,10-diol, dicarbamate
- 2-(4-Methylphenyl)propane-1,3-diyl bis(hydrogen carbonimidate)
- 25462-35-5
- BRN 3062338
- DTXSID80948355
-
- Inchi： 1S/C12H16N2O4/c1-8-2-4-9(5-3-8)10(6-17-11(13)15)7-18-12(14)16/h2-5,10H,6-7H2,1H3,(H2,13,15)(H2,14,16)
- InChI Key： HXGYVQDURKNEPV-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(COC(N)=O)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 252.11108
- Monoisotopic Mass: 252.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 270
- 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: 1
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 104.64
p-Cymene-9,10-diol,dicarbamate (8CI) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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