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1989671-71-7 | 3-(5-methyl-1H-imidazol-2-yl)aniline dihydrochloride
CAS No: 1989671-71-7 Catalog No: AG01B6F1 MDL No:MFCD30342818
Product Description
Catalog Number:
AG01B6F1
Chemical Name:
3-(5-methyl-1H-imidazol-2-yl)aniline dihydrochloride
CAS Number:
1989671-71-7
Molecular Formula:
C10H13Cl2N3
Molecular Weight:
246.1363
MDL Number:
MFCD30342818
IUPAC Name:
3-(5-methyl-1H-imidazol-2-yl)aniline;dihydrochloride
InChI:
InChI=1S/C10H11N3.2ClH/c1-7-6-12-10(13-7)8-3-2-4-9(11)5-8;;/h2-6H,11H2,1H3,(H,12,13);2*1H
InChI Key:
WWQDHAZNXVVQBD-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ncc([nH]1)C.Cl.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
246.135g/mol
Monoisotopic Mass:
245.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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