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Home > Imidazoles > 1010911-58-6
1010911-58-6 | 4-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CAS No: 1010911-58-6 Catalog No: AG00H9FA MDL No:MFCD09996815
Product Description
Catalog Number:
AG00H9FA
Chemical Name:
4-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CAS Number:
1010911-58-6
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD09996815
IUPAC Name:
4-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C14H17N3O2/c1-18-10-5-9(6-11(7-10)19-2)13-14-12(3-4-15-13)16-8-17-14/h5-8,13,15H,3-4H2,1-2H3,(H,16,17)
InChI Key:
GKPQGYHEHZJQHQ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C1NCCc2c1[nH]cn2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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