200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 171205-17-7
171205-17-7 | 2-(1-N-Methylpiperazinyl)quinolinedimaleate
CAS No: 171205-17-7 Catalog No: AG01ENS5 MDL No:
Product Description
Catalog Number:
AG01ENS5
Chemical Name:
2-(1-N-Methylpiperazinyl)quinolinedimaleate
CAS Number:
171205-17-7
Molecular Formula:
C22H25N3O8
Molecular Weight:
459.4492
IUPAC Name:
(Z)-but-2-enedioic acid;2-(4-methylpiperazin-1-yl)quinoline
InChI:
InChI=1S/C14H17N3.2C4H4O4/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14;2*5-3(6)1-2-4(7)8/h2-7H,8-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChI Key:
HNSITEGFVDCKMF-SPIKMXEPSA-N
SMILES:
CN1CCN(CC1)c1ccc2c(n1)cccc2.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O
UNII:
3HE4V6NQ2I
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
459.164g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
459.455g/mol
Monoisotopic Mass:
459.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.