Home Other Building Blocks N-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine, trifluoroacetic acid

N-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine, trifluoroacetic acid

CAS No.:
1803592-44-0
Catalog Number:
AG01AFQ9
Molecular Formula:
C12H14F3N3O3
Molecular Weight:
305.2531
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Product Description
Catalog Number:
AG01AFQ9
Chemical Name:
N-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine, trifluoroacetic acid
CAS Number:
1803592-44-0
Molecular Formula:
C12H14F3N3O3
Molecular Weight:
305.2531
MDL Number:
MFCD27500971
IUPAC Name:
N-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H13N3O.C2HF3O2/c1-14-9-4-2-8(3-5-9)13-10-11-6-7-12-10;3-2(4,5)1(6)7/h2-5H,6-7H2,1H3,(H2,11,12,13);(H,6,7)
InChI Key:
PSEZCXZANHBAOW-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COc1ccc(cc1)NC1=NCCN1
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.099g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
305.257g/mol
Monoisotopic Mass:
305.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties