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Home > Other Building Blocks > 1222533-80-3
1222533-80-3 | 1-Propanone, 1-[3,4-dihydro-6-(3-hydroxypropyl)-1,8-naphthyridin-1(2H)-yl]-2,2-dimethyl-
CAS No: 1222533-80-3 Catalog No: AG0016ZN MDL No:MFCD16628239
Product Description
Catalog Number:
AG0016ZN
Chemical Name:
1-Propanone, 1-[3,4-dihydro-6-(3-hydroxypropyl)-1,8-naphthyridin-1(2H)-yl]-2,2-dimethyl-
CAS Number:
1222533-80-3
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD16628239
IUPAC Name:
1-[6-(3-hydroxypropyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)15(20)18-8-4-7-13-10-12(6-5-9-19)11-17-14(13)18/h10-11,19H,4-9H2,1-3H3
InChI Key:
JCNMYQHMYZDUIR-UHFFFAOYSA-N
SMILES:
OCCCc1cnc2c(c1)CCCN2C(=O)C(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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