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29528-28-7 | Benzenamine, 4-(1H-imidazol-5-yl)-
CAS No: 29528-28-7 Catalog No: AG002YMZ MDL No:MFCD00297065
Product Description
Catalog Number:
AG002YMZ
Chemical Name:
Benzenamine, 4-(1H-imidazol-5-yl)-
CAS Number:
29528-28-7
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD00297065
IUPAC Name:
4-(1H-imidazol-5-yl)aniline
InChI:
InChI=1S/C9H9N3/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2,(H,11,12)
InChI Key:
CENKJXADYBDCLM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1[nH]cnc1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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