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285987-90-8 | 1H-Imidazole, 2-(di-1H-pyrrol-2-ylmethyl)-1-methyl-
CAS No: 285987-90-8 Catalog No: AG002VT1 MDL No:
Product Description
Catalog Number:
AG002VT1
Chemical Name:
1H-Imidazole, 2-(di-1H-pyrrol-2-ylmethyl)-1-methyl-
CAS Number:
285987-90-8
Molecular Formula:
C13H14N4
Molecular Weight:
226.2771
IUPAC Name:
2-[bis(1H-pyrrol-2-yl)methyl]-1-methylimidazole
InChI:
InChI=1S/C13H14N4/c1-17-9-8-16-13(17)12(10-4-2-6-14-10)11-5-3-7-15-11/h2-9,12,14-15H,1H3
InChI Key:
ZGEVSOYFKZSANK-UHFFFAOYSA-N
SMILES:
Cn1ccnc1C(c1ccc[nH]1)c1ccc[nH]1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.283g/mol
Monoisotopic Mass:
226.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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