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Home > Imidazoles > 2492-96-8
2492-96-8 | 2-Imidazolidinone, 1,3-bis(hydroxymethyl)-4-methyl-
CAS No: 2492-96-8 Catalog No: AG002PVT MDL No:
Product Description
Catalog Number:
AG002PVT
Chemical Name:
2-Imidazolidinone, 1,3-bis(hydroxymethyl)-4-methyl-
CAS Number:
2492-96-8
Molecular Formula:
C6H12N2O3
Molecular Weight:
160.1711
IUPAC Name:
1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one
InChI:
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:
OCN1CC(N(C1=O)CO)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.173g/mol
Monoisotopic Mass:
160.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Patch testing for permanent-press allergic contact dermatitis. | Contact dermatitis 20020101 |
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