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158688-63-2 | 1H-Imidazol-4-amine, 1-phenyl-
CAS No: 158688-63-2 Catalog No: AG001QQJ MDL No:MFCD13189638
Product Description
Catalog Number:
AG001QQJ
Chemical Name:
1H-Imidazol-4-amine, 1-phenyl-
CAS Number:
158688-63-2
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD13189638
IUPAC Name:
1-phenylimidazol-4-amine
InChI:
InChI=1S/C9H9N3/c10-9-6-12(7-11-9)8-4-2-1-3-5-8/h1-7H,10H2
InChI Key:
POFSKATYJIOBBK-UHFFFAOYSA-N
SMILES:
Nc1ncn(c1)c1ccccc1
Properties
Complexity:
143
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:
1
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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