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32563-81-8 | N-(1H-imidazol-4-ylmethyl)aniline
CAS No: 32563-81-8 Catalog No: AG01E9KP MDL No:MFCD14236726
Product Description
Catalog Number:
AG01E9KP
Chemical Name:
N-(1H-imidazol-4-ylmethyl)aniline
CAS Number:
32563-81-8
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD14236726
IUPAC Name:
N-(1H-imidazol-5-ylmethyl)aniline
InChI:
InChI=1S/C10H11N3/c1-2-4-9(5-3-1)12-7-10-6-11-8-13-10/h1-6,8,12H,7H2,(H,11,13)
InChI Key:
AUZUSOIPPYQZQA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NCc1c[nH]cn1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012. | Bioorganic & medicinal chemistry letters 20120815 |
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