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660405-05-0 | N-(1H-imidazol-2-ylmethyl)-4-methoxyaniline
CAS No: 660405-05-0 Catalog No: AG01B01D MDL No:MFCD08668356
Product Description
Catalog Number:
AG01B01D
Chemical Name:
N-(1H-imidazol-2-ylmethyl)-4-methoxyaniline
CAS Number:
660405-05-0
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD08668356
IUPAC Name:
N-(1H-imidazol-2-ylmethyl)-4-methoxyaniline
InChI:
InChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)14-8-11-12-6-7-13-11/h2-7,14H,8H2,1H3,(H,12,13)
InChI Key:
UCGAWWFSIMHMAS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NCc1ncc[nH]1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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