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821005-11-2 | 1H-Imidazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-
CAS No: 821005-11-2 Catalog No: AG0051T0 MDL No:
Product Description
Catalog Number:
AG0051T0
Chemical Name:
1H-Imidazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-
CAS Number:
821005-11-2
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
IUPAC Name:
2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C9H16N4/c1-9(2,7-10-3-4-11-7)8-12-5-6-13-8/h3-6H2,1-2H3,(H,10,11)(H,12,13)
InChI Key:
RDXGDIIZBHXIOK-UHFFFAOYSA-N
SMILES:
CC(C1=NCCN1)(C1=NCCN1)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.255g/mol
Monoisotopic Mass:
180.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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