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Home Other Building Blocks 3-(1H-Imidazol-1-ylmethyl)aniline

3-(1H-Imidazol-1-ylmethyl)aniline

CAS No.:
120107-85-9
Catalog Number:
AG000QCH
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$263
- +
10g
98%
In Stock USA
United States
$475
- +
25g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG000QCH
Chemical Name:
3-(1H-Imidazol-1-ylmethyl)aniline
CAS Number:
120107-85-9
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD07801129
IUPAC Name:
3-(imidazol-1-ylmethyl)aniline
InChI:
InChI=1S/C10H11N3/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7,11H2
InChI Key:
HOZXQBSHRUITCX-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1cncc1
Properties
Complexity:
160  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). Journal of medicinal chemistry 20100225
Properties