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2089-46-5 | Phenol, 4-(1-methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)-, hydrobromide (1:2)
CAS No: 2089-46-5 Catalog No: AG002JY8 MDL No:
Product Description
Catalog Number:
AG002JY8
Chemical Name:
Phenol, 4-(1-methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)-, hydrobromide (1:2)
CAS Number:
2089-46-5
Molecular Formula:
C27H40Br2N2O
Molecular Weight:
568.4273
IUPAC Name:
4-(2-phenylpropan-2-yl)-2,6-bis(piperidin-1-ylmethyl)phenol;dihydrobromide
InChI:
InChI=1S/C27H38N2O.2BrH/c1-27(2,24-12-6-3-7-13-24)25-18-22(20-28-14-8-4-9-15-28)26(30)23(19-25)21-29-16-10-5-11-17-29;;/h3,6-7,12-13,18-19,30H,4-5,8-11,14-17,20-21H2,1-2H3;2*1H
InChI Key:
OEPQVKRTPFTHNA-UHFFFAOYSA-N
SMILES:
Oc1c(CN2CCCCC2)cc(cc1CN1CCCCC1)C(c1ccccc1)(C)C.Br.Br
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.149g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
568.438g/mol
Monoisotopic Mass:
566.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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