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28987-75-9 | Piperidinium, 1,1-bis(phenylmethyl)-, bromide (1:1)
CAS No: 28987-75-9 Catalog No: AG002V48 MDL No:
Product Description
Catalog Number:
AG002V48
Chemical Name:
Piperidinium, 1,1-bis(phenylmethyl)-, bromide (1:1)
CAS Number:
28987-75-9
Molecular Formula:
C19H24BrN
Molecular Weight:
346.3046
IUPAC Name:
1,1-dibenzylpiperidin-1-ium;bromide
InChI:
InChI=1S/C19H24N.BrH/c1-4-10-18(11-5-1)16-20(14-8-3-9-15-20)17-19-12-6-2-7-13-19;/h1-2,4-7,10-13H,3,8-9,14-17H2;1H/q+1;/p-1
InChI Key:
CTRLTIFVZSPXNT-UHFFFAOYSA-M
SMILES:
C1CC[N+](CC1)(Cc1ccccc1)Cc1ccccc1.[Br-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.312g/mol
Monoisotopic Mass:
345.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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