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Home > Imidazoles > 5011-47-2
5011-47-2 | 4-(3,4-dimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CAS No: 5011-47-2 Catalog No: AG01B608 MDL No:MFCD10007525
Product Description
Catalog Number:
AG01B608
Chemical Name:
4-(3,4-dimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CAS Number:
5011-47-2
Molecular Formula:
C14H19Cl2N3O2
Molecular Weight:
332.2256
MDL Number:
MFCD10007525
IUPAC Name:
4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride
InChI:
InChI=1S/C14H17N3O2.2ClH/c1-18-11-4-3-9(7-12(11)19-2)13-14-10(5-6-15-13)16-8-17-14;;/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,16,17);2*1H
InChI Key:
XNZRDNMTBAGDRI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1NCCc2c1[nH]cn2.Cl.Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
332.225g/mol
Monoisotopic Mass:
331.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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