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100353-76-2 | Piperidinium, 1-[2-[bis(phenylmethyl)amino]ethyl]-1-methyl-, bromide (1:1)
CAS No: 100353-76-2 Catalog No: AG0001P8 MDL No:
Product Description
Catalog Number:
AG0001P8
Chemical Name:
Piperidinium, 1-[2-[bis(phenylmethyl)amino]ethyl]-1-methyl-, bromide (1:1)
CAS Number:
100353-76-2
Molecular Formula:
C22H31BrN2
Molecular Weight:
403.3989
IUPAC Name:
N,N-dibenzyl-2-(1-methylpiperidin-1-ium-1-yl)ethanamine;bromide
InChI:
InChI=1S/C22H31N2.BrH/c1-24(16-9-4-10-17-24)18-15-23(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22;/h2-3,5-8,11-14H,4,9-10,15-20H2,1H3;1H/q+1;/p-1
InChI Key:
DFQKEVPLRMTOTJ-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCCC1)CCN(Cc1ccccc1)Cc1ccccc1.[Br-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.408g/mol
Monoisotopic Mass:
402.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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