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1289388-29-9 | Pyrimidine, 4-methyl-2,6-bis(3-piperidinylmethoxy)-, hydrochloride (1:2)
CAS No: 1289388-29-9 Catalog No: AG000YO9 MDL No:
Product Description
Catalog Number:
AG000YO9
Chemical Name:
Pyrimidine, 4-methyl-2,6-bis(3-piperidinylmethoxy)-, hydrochloride (1:2)
CAS Number:
1289388-29-9
Molecular Formula:
C17H30Cl2N4O2
Molecular Weight:
393.3517
IUPAC Name:
4-methyl-2,6-bis(piperidin-3-ylmethoxy)pyrimidine;dihydrochloride
InChI:
InChI=1S/C17H28N4O2.2ClH/c1-13-8-16(22-11-14-4-2-6-18-9-14)21-17(20-13)23-12-15-5-3-7-19-10-15;;/h8,14-15,18-19H,2-7,9-12H2,1H3;2*1H
InChI Key:
YTXJOOZUUYSASV-UHFFFAOYSA-N
SMILES:
Cc1cc(OCC2CCCNC2)nc(n1)OCC1CCCNC1.Cl.Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
393.353g/mol
Monoisotopic Mass:
392.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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