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Home > Imidazoles > 821005-05-4
821005-05-4 | 1H-Imidazole, 2,2'-methylenebis[4,5-dihydro-1-methyl-
CAS No: 821005-05-4 Catalog No: AG004WIQ MDL No:
Product Description
Catalog Number:
AG004WIQ
Chemical Name:
1H-Imidazole, 2,2'-methylenebis[4,5-dihydro-1-methyl-
CAS Number:
821005-05-4
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
IUPAC Name:
1-methyl-2-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-4,5-dihydroimidazole
InChI:
InChI=1S/C9H16N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-7H2,1-2H3
InChI Key:
PISKFJPWSDHXPC-UHFFFAOYSA-N
SMILES:
CN1CCN=C1CC1=NCCN1C
Properties
Complexity:
230
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.255g/mol
Monoisotopic Mass:
180.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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