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Home > Aldehydes > 648449-04-1
648449-04-1 | 6-Quinazolinecarboxaldehyde, 4-(methylamino)-
CAS No: 648449-04-1 Catalog No: AG006SSJ MDL No:
Product Description
Catalog Number:
AG006SSJ
Chemical Name:
6-Quinazolinecarboxaldehyde, 4-(methylamino)-
CAS Number:
648449-04-1
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
4-(methylamino)quinazoline-6-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c1-11-10-8-4-7(5-14)2-3-9(8)12-6-13-10/h2-6H,1H3,(H,11,12,13)
InChI Key:
SNMFIYKCKOAVPZ-UHFFFAOYSA-N
SMILES:
CNc1ncnc2c1cc(C=O)cc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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