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89200-70-4 | 7-Quinazolinecarboxylic acid, 4-amino-2,6,8-trimethyl-, ethyl ester
CAS No: 89200-70-4 Catalog No: AG0045OC MDL No:
Product Description
Catalog Number:
AG0045OC
Chemical Name:
7-Quinazolinecarboxylic acid, 4-amino-2,6,8-trimethyl-, ethyl ester
CAS Number:
89200-70-4
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
ethyl 4-amino-2,6,8-trimethylquinazoline-7-carboxylate
InChI:
InChI=1S/C14H17N3O2/c1-5-19-14(18)11-7(2)6-10-12(8(11)3)16-9(4)17-13(10)15/h6H,5H2,1-4H3,(H2,15,16,17)
InChI Key:
VJCLPAVTCBDVMU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cc2c(c1C)nc(nc2N)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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