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15522-59-5 | 1-Butanaminium, N,N,N-tributyl-, tetraphenylborate(1-) (1:1)
CAS No: 15522-59-5 Catalog No: AG001NQI MDL No:MFCD00011749
Product Description
Catalog Number:
AG001NQI
Chemical Name:
1-Butanaminium, N,N,N-tributyl-, tetraphenylborate(1-) (1:1)
CAS Number:
15522-59-5
Molecular Formula:
C40H56BN
Molecular Weight:
561.6903
MDL Number:
MFCD00011749
IUPAC Name:
tetrabutylazanium;tetraphenylboranuide
InChI:
InChI=1S/C24H20B.C16H36N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-20H;5-16H2,1-4H3/q-1;+1
InChI Key:
ZHCCBGAUZWZGQV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC
EC Number:
239-562-9
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.451g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
561.705g/mol
Monoisotopic Mass:
561.451g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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