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1803606-74-7 | 5-[(2-methoxyethyl)(methyl)amino]-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS No: 1803606-74-7 Catalog No: AG01B900 MDL No:MFCD28348194
Product Description
Catalog Number:
AG01B900
Chemical Name:
5-[(2-methoxyethyl)(methyl)amino]-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one, carbonic acid
CAS Number:
1803606-74-7
Molecular Formula:
C14H24N4O5
Molecular Weight:
328.3642
MDL Number:
MFCD28348194
IUPAC Name:
carbonic acid;5-[2-methoxyethyl(methyl)amino]-2-piperidin-3-ylpyridazin-3-one
InChI:
InChI=1S/C13H22N4O2.CH2O3/c1-16(6-7-19-2)12-8-13(18)17(15-10-12)11-4-3-5-14-9-11;2-1(3)4/h8,10-11,14H,3-7,9H2,1-2H3;(H2,2,3,4)
InChI Key:
VNHOPKVCLQNXOY-UHFFFAOYSA-N
SMILES:
OC(=O)O.COCCN(c1cnn(c(=O)c1)C1CCCNC1)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.369g/mol
Monoisotopic Mass:
328.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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