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1022-44-2 | 4-Quinazolinamine, 2-phenyl-
CAS No: 1022-44-2 Catalog No: AG0006W5 MDL No:MFCD03093373
Product Description
Catalog Number:
AG0006W5
Chemical Name:
4-Quinazolinamine, 2-phenyl-
CAS Number:
1022-44-2
Molecular Formula:
C14H11N3
Molecular Weight:
221.2572
MDL Number:
MFCD03093373
IUPAC Name:
2-phenylquinazolin-4-amine
InChI:
InChI=1S/C14H11N3/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChI Key:
AEEMTZOWFJHGNW-UHFFFAOYSA-N
SMILES:
Nc1nc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.263g/mol
Monoisotopic Mass:
221.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 2-quinoxalinylnitrenes and 4-quinazolinylnitrenes: rearrangement to cyclic and acyclic carbodiimides and ring-opening to nitrile ylides. | Journal of the American Chemical Society 20110413 |
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