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1368955-75-2 | [1-(4-Methoxybenzyl)-1H-imidazol-4-yl]methanamine
CAS No: 1368955-75-2 Catalog No: AG01F9AA MDL No:
Product Description
Catalog Number:
AG01F9AA
Chemical Name:
[1-(4-Methoxybenzyl)-1H-imidazol-4-yl]methanamine
CAS Number:
1368955-75-2
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanamine
InChI:
InChI=1S/C12H15N3O/c1-16-12-4-2-10(3-5-12)7-15-8-11(6-13)14-9-15/h2-5,8-9H,6-7,13H2,1H3
InChI Key:
HOAHCEUSJATFGH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cnc(c1)CN
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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