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100075-74-9 | 4H-3,1-Benzoxazin-4-one, 2-(butylamino)-5-ethyl-
CAS No: 100075-74-9 Catalog No: AG0000TV MDL No:
Product Description
Catalog Number:
AG0000TV
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-(butylamino)-5-ethyl-
CAS Number:
100075-74-9
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
2-(butylamino)-5-ethyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C14H18N2O2/c1-3-5-9-15-14-16-11-8-6-7-10(4-2)12(11)13(17)18-14/h6-8H,3-5,9H2,1-2H3,(H,15,16)
InChI Key:
UGHLTSKWAQQNOO-UHFFFAOYSA-N
SMILES:
CCCCNc1nc2cccc(c2c(=O)o1)CC
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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