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833480-22-1 | Cyanamide, cyano-, compd. with 1-ethyl-2-methyl-1H-imidazole (1:1)
CAS No: 833480-22-1 Catalog No: AG008I3E MDL No:
Product Description
Catalog Number:
AG008I3E
Chemical Name:
Cyanamide, cyano-, compd. with 1-ethyl-2-methyl-1H-imidazole (1:1)
CAS Number:
833480-22-1
Molecular Formula:
C8H11N5
Molecular Weight:
177.2064
IUPAC Name:
cyanocyanamide;1-ethyl-2-methylimidazole
InChI:
InChI=1S/C6H10N2.C2HN3/c1-3-8-5-4-7-6(8)2;3-1-5-2-4/h4-5H,3H2,1-2H3;5H
InChI Key:
IYJPQQRBEFKTBF-UHFFFAOYSA-N
SMILES:
CCn1ccnc1C.N#CNC#N
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.211g/mol
Monoisotopic Mass:
177.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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