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1422133-01-4 | 7-(isobutoxymethyl)-1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CAS No: 1422133-01-4 Catalog No: AG01DK9O MDL No:
Product Description
Catalog Number:
AG01DK9O
Chemical Name:
7-(isobutoxymethyl)-1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CAS Number:
1422133-01-4
Molecular Formula:
C12H21N3O
Molecular Weight:
223.3146
IUPAC Name:
1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
InChI:
InChI=1S/C12H21N3O/c1-9(2)6-16-7-10-4-13-5-11-12(10)15(3)8-14-11/h8-10,13H,4-7H2,1-3H3
InChI Key:
WWKNHYNZVVYIQH-UHFFFAOYSA-N
SMILES:
CC(COCC1CNCc2c1n(C)cn2)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.32g/mol
Monoisotopic Mass:
223.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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