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694-32-6

694-32-6 | 1-Methyl-2-imidazolidinone

CAS No: 694-32-6 Catalog No: AG0038HG MDL No:MFCD00800601

Product Description

Catalog Number:
AG0038HG
Chemical Name:
1-Methyl-2-imidazolidinone
CAS Number:
694-32-6
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
MDL Number:
MFCD00800601
IUPAC Name:
1-methylimidazolidin-2-one
InChI:
InChI=1S/C4H8N2O/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
InChI Key:
JTPZTKBRUCILQD-UHFFFAOYSA-N
SMILES:
O=C1NCCN1C

Properties

Complexity:
91.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.064g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
100.121g/mol
Monoisotopic Mass:
100.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

Literature

Title Journal
1-Methyl-1,3-diazinan-2-one. Acta crystallographica. Section E, Structure reports online 20120501
Gold(I)-catalyzed amination of allylic alcohols with cyclic ureas and related nucleophiles. Organic letters 20100319
Intermolecular hydroamination of ethylene and 1-alkenes with cyclic ureas catalyzed by achiral and chiral gold(I) complexes. Journal of the American Chemical Society 20090422

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