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14910-31-7 | Quinolinium, 6,6'-(carbonyldiimino)bis[1-methyl- (9CI)
CAS No: 14910-31-7 Catalog No: AG001LE7 MDL No:
Product Description
Catalog Number:
AG001LE7
Chemical Name:
Quinolinium, 6,6'-(carbonyldiimino)bis[1-methyl- (9CI)
CAS Number:
14910-31-7
Molecular Formula:
C21H20N4O++
Molecular Weight:
344.4097
IUPAC Name:
1,3-bis(1-methylquinolin-1-ium-6-yl)urea
InChI:
InChI=1S/C21H19N4O/c1-24-11-3-5-15-13-17(7-9-19(15)24)22-21(26)23-18-8-10-20-16(14-18)6-4-12-25(20)2/h3-14H,1-2H3,(H-,22,23,26)/q+1/p+1
InChI Key:
XNGCPUFXJFAGRG-UHFFFAOYSA-O
SMILES:
O=C(Nc1ccc2c(c1)ccc[n+]2C)Nc1ccc2c(c1)ccc[n+]2C
UNII:
324LL33THV
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.164g/mol
Formal Charge:
2
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.418g/mol
Monoisotopic Mass:
344.164g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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