Home Halogens [(3-chlorophenyl)methyl][2-(1H-imidazol-1-yl)ethyl]amine

[(3-chlorophenyl)methyl][2-(1H-imidazol-1-yl)ethyl]amine

CAS No.:
1249620-54-9
Catalog Number:
AG01BHN4
Molecular Formula:
C12H14ClN3
Molecular Weight:
235.7127
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Product Description
Catalog Number:
AG01BHN4
Chemical Name:
[(3-chlorophenyl)methyl][2-(1H-imidazol-1-yl)ethyl]amine
CAS Number:
1249620-54-9
Molecular Formula:
C12H14ClN3
Molecular Weight:
235.7127
MDL Number:
MFCD14618864
IUPAC Name:
N-[(3-chlorophenyl)methyl]-2-imidazol-1-ylethanamine
InChI:
InChI=1S/C12H14ClN3/c13-12-3-1-2-11(8-12)9-14-4-6-16-7-5-15-10-16/h1-3,5,7-8,10,14H,4,6,9H2
InChI Key:
BAJPUQGATIEMHV-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CNCCn1cncc1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.715g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties