Home Other Building Blocks 1-[3-(1H-imidazol-1-yl)phenyl]ethan-1-amine

1-[3-(1H-imidazol-1-yl)phenyl]ethan-1-amine

CAS No.:
1354953-78-8
Catalog Number:
AG019SRP
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
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Product Description
Catalog Number:
AG019SRP
Chemical Name:
1-[3-(1H-imidazol-1-yl)phenyl]ethan-1-amine
CAS Number:
1354953-78-8
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD20502232
IUPAC Name:
1-(3-imidazol-1-ylphenyl)ethanamine
InChI:
InChI=1S/C11H13N3/c1-9(12)10-3-2-4-11(7-10)14-6-5-13-8-14/h2-9H,12H2,1H3
InChI Key:
IXPMKBMVQBDDBE-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)n1cncc1)N
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties