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Home > Other Heterocycles > 19847-06-4
19847-06-4 | Glutaric acid, bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]non-9-yl)ethyl] ester, tetrahydrochloride (8CI)
CAS No: 19847-06-4 Catalog No: AG002BJE MDL No:
Product Description
Catalog Number:
AG002BJE
Chemical Name:
Glutaric acid, bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]non-9-yl)ethyl] ester, tetrahydrochloride (8CI)
CAS Number:
19847-06-4
Molecular Formula:
C25H48Cl4N4O4
Molecular Weight:
610.4850
IUPAC Name:
bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] pentanedioate;tetrahydrochloride
InChI:
InChI=1S/C25H44N4O4.4ClH/c1-26-16-20-6-3-7-21(17-26)28(20)12-14-32-24(30)10-5-11-25(31)33-15-13-29-22-8-4-9-23(29)19-27(2)18-22;;;;/h20-23H,3-19H2,1-2H3;4*1H
InChI Key:
XIHKGWWNLBGVDV-UHFFFAOYSA-N
SMILES:
CN1CC2CCCC(C1)N2CCOC(=O)CCCC(=O)OCCN1C2CCCC1CN(C2)C.Cl.Cl.Cl.Cl
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.24g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
610.483g/mol
Monoisotopic Mass:
608.243g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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