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13048-89-0 | 1,4-Butanediaminium, N1,N1,N4,N4-tetramethyl-N1,N4-bis(phenylmethyl)-, bromide (1:2)
CAS No: 13048-89-0 Catalog No: AG000UHZ MDL No:
Product Description
Catalog Number:
AG000UHZ
Chemical Name:
1,4-Butanediaminium, N1,N1,N4,N4-tetramethyl-N1,N4-bis(phenylmethyl)-, bromide (1:2)
CAS Number:
13048-89-0
Molecular Formula:
C22H34Br2N2
Molecular Weight:
486.3268
IUPAC Name:
benzyl-[4-[benzyl(dimethyl)azaniumyl]butyl]-dimethylazanium
InChI:
InChI=1S/C22H34N2/c1-23(2,19-21-13-7-5-8-14-21)17-11-12-18-24(3,4)20-22-15-9-6-10-16-22/h5-10,13-16H,11-12,17-20H2,1-4H3/q+2
InChI Key:
RHGVXBKDJLUNND-UHFFFAOYSA-N
SMILES:
C[N+](Cc1ccccc1)(CCCC[N+](Cc1ccccc1)(C)C)C.[Br-].[Br-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.272g/mol
Formal Charge:
2
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.528g/mol
Monoisotopic Mass:
326.272g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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