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29605-98-9 | Morpholinium, 2,2'-[1,1':4',1''-terphenyl]-4,4''-diylbis[2-hydroxy-4,4-dimethyl-, dibromide (9CI)
CAS No: 29605-98-9 Catalog No: AG002YVX MDL No:
Product Description
Catalog Number:
AG002YVX
Chemical Name:
Morpholinium, 2,2'-[1,1':4',1''-terphenyl]-4,4''-diylbis[2-hydroxy-4,4-dimethyl-, dibromide (9CI)
CAS Number:
29605-98-9
Molecular Formula:
C30H38Br2N2O4
Molecular Weight:
650.4417
IUPAC Name:
2-[4-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide
InChI:
InChI=1S/C30H38N2O4.2BrH/c1-31(2)17-19-35-29(33,21-31)27-13-9-25(10-14-27)23-5-7-24(8-6-23)26-11-15-28(16-12-26)30(34)22-32(3,4)18-20-36-30;;/h5-16,33-34H,17-22H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
FEPKVQIQRHNUHX-UHFFFAOYSA-L
SMILES:
OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-].[Br-]
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.118g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
650.452g/mol
Monoisotopic Mass:
648.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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