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Home > Imidazoles > 862537-53-9
862537-53-9 | 2H-Imidazol-2-imine, 1,3-dihydro-4,5-dimethyl-1,3-bis(1-methylethyl)-
CAS No: 862537-53-9 Catalog No: AG004JRD MDL No:
Product Description
Catalog Number:
AG004JRD
Chemical Name:
2H-Imidazol-2-imine, 1,3-dihydro-4,5-dimethyl-1,3-bis(1-methylethyl)-
CAS Number:
862537-53-9
Molecular Formula:
C11H21N3
Molecular Weight:
195.3045
IUPAC Name:
4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-imine
InChI:
InChI=1S/C11H21N3/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)12/h7-8,12H,1-6H3
InChI Key:
PHPKAYZMWLCASB-UHFFFAOYSA-N
SMILES:
CC(n1c(C)c(n(c1=N)C(C)C)C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.174g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.31g/mol
Monoisotopic Mass:
195.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Strong hydrogen bonds in the ionic pair (1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylideneamine)iron(II). | Acta crystallographica. Section C, Crystal structure communications 20060501 |
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