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84406-90-6 | 1H-Imidazol-2-amine, 4-methyl-, monoacetate
CAS No: 84406-90-6 Catalog No: AG004X5T MDL No:
Product Description
Catalog Number:
AG004X5T
Chemical Name:
1H-Imidazol-2-amine, 4-methyl-, monoacetate
CAS Number:
84406-90-6
Molecular Formula:
C6H11N3O2
Molecular Weight:
157.1704
IUPAC Name:
acetic acid;5-methyl-1H-imidazol-2-amine
InChI:
InChI=1S/C4H7N3.C2H4O2/c1-3-2-6-4(5)7-3;1-2(3)4/h2H,1H3,(H3,5,6,7);1H3,(H,3,4)
InChI Key:
VAZDDHZBHUBMFX-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(n1)N.CC(=O)O
Properties
Complexity:
95
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
157.173g/mol
Monoisotopic Mass:
157.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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