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Home > Imidazoles > 111965-49-2
111965-49-2 | Guanidine, [2-(2-methyl-1H-imidazol-1-yl)ethyl]-
CAS No: 111965-49-2 Catalog No: AG007V19 MDL No:
Product Description
Catalog Number:
AG007V19
Chemical Name:
Guanidine, [2-(2-methyl-1H-imidazol-1-yl)ethyl]-
CAS Number:
111965-49-2
Molecular Formula:
C7H13N5
Molecular Weight:
167.2116
IUPAC Name:
2-[2-(2-methylimidazol-1-yl)ethyl]guanidine
InChI:
InChI=1S/C7H13N5/c1-6-10-2-4-12(6)5-3-11-7(8)9/h2,4H,3,5H2,1H3,(H4,8,9,11)
InChI Key:
TWCAFZDZPVXPAK-UHFFFAOYSA-N
SMILES:
NC(=N)NCCn1ccnc1C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.117g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.216g/mol
Monoisotopic Mass:
167.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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