Cas no 2492-96-8 (2-Imidazolidinone, 1,3-bis(hydroxymethyl)-4-methyl-)
2492-96-8 structure
Product Name:2-Imidazolidinone, 1,3-bis(hydroxymethyl)-4-methyl-
CAS No:2492-96-8
MF:C6H12N2O3
MW:160.171081542969
CID:238524
PubChem ID:18458479
Update Time:2025-04-19
2-Imidazolidinone, 1,3-bis(hydroxymethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Imidazolidinone, 1,3-bis(hydroxymethyl)-4-methyl-
- 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one
- DTXSID50594045
- 2492-96-8
- SCHEMBL313704
-
- Inchi： 1S/C6H12N2O3/c1-5-2-7(3-9)6(11)8(5)4-10/h5,9-10H,2-4H2,1H3
- InChI Key： UBHXVADGCTXVOH-UHFFFAOYSA-N
- SMILES： O=C1N(CO)CC(C)N1CO
Computed Properties
- Exact Mass: 160.08486
- Monoisotopic Mass: 160.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 162
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 64?2
Experimental Properties
- PSA: 64.01
2-Imidazolidinone, 1,3-bis(hydroxymethyl)-4-methyl- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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