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116065-10-2 | 4(3H)-Quinazolinone, 3-amino-2-(1,2,2-trimethylpropyl)-
CAS No: 116065-10-2 Catalog No: AG000BJG MDL No:
Product Description
Catalog Number:
AG000BJG
Chemical Name:
4(3H)-Quinazolinone, 3-amino-2-(1,2,2-trimethylpropyl)-
CAS Number:
116065-10-2
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
IUPAC Name:
3-amino-2-(3,3-dimethylbutan-2-yl)quinazolin-4-one
InChI:
InChI=1S/C14H19N3O/c1-9(14(2,3)4)12-16-11-8-6-5-7-10(11)13(18)17(12)15/h5-9H,15H2,1-4H3
InChI Key:
KSPKNGUTOUEHIM-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)c1nc2ccccc2c(=O)n1N
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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