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Home > Aldehydes > 648449-24-5
648449-24-5 | 6-Quinazolinecarboxaldehyde, 4-[4-(phenylmethyl)-1-piperidinyl]-
CAS No: 648449-24-5 Catalog No: AG006SSD MDL No:
Product Description
Catalog Number:
AG006SSD
Chemical Name:
6-Quinazolinecarboxaldehyde, 4-[4-(phenylmethyl)-1-piperidinyl]-
CAS Number:
648449-24-5
Molecular Formula:
C21H21N3O
Molecular Weight:
331.4109
IUPAC Name:
4-(4-benzylpiperidin-1-yl)quinazoline-6-carbaldehyde
InChI:
InChI=1S/C21H21N3O/c25-14-18-6-7-20-19(13-18)21(23-15-22-20)24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13-15,17H,8-12H2
InChI Key:
XORCMHFPFSZEBK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c(ncn2)N1CCC(CC1)Cc1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.419g/mol
Monoisotopic Mass:
331.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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