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Home > Aldehydes > 648449-21-2
648449-21-2 | 6-Quinazolinecarboxaldehyde, 4-(4-hydroxy-1-piperidinyl)-
CAS No: 648449-21-2 Catalog No: AG006SSE MDL No:
Product Description
Catalog Number:
AG006SSE
Chemical Name:
6-Quinazolinecarboxaldehyde, 4-(4-hydroxy-1-piperidinyl)-
CAS Number:
648449-21-2
Molecular Formula:
C14H15N3O2
Molecular Weight:
257.2878
IUPAC Name:
4-(4-hydroxypiperidin-1-yl)quinazoline-6-carbaldehyde
InChI:
InChI=1S/C14H15N3O2/c18-8-10-1-2-13-12(7-10)14(16-9-15-13)17-5-3-11(19)4-6-17/h1-2,7-9,11,19H,3-6H2
InChI Key:
YHSNCHWTGXOEQL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c(ncn2)N1CCC(CC1)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.293g/mol
Monoisotopic Mass:
257.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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