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844831-61-4 | 1H-Imidazolium, 4,5-dihydro-2-phenyl-1,3-bis(phenylmethyl)-, bromide
CAS No: 844831-61-4 Catalog No: AG005507 MDL No:
Product Description
Catalog Number:
AG005507
Chemical Name:
1H-Imidazolium, 4,5-dihydro-2-phenyl-1,3-bis(phenylmethyl)-, bromide
CAS Number:
844831-61-4
Molecular Formula:
C23H25BrN2
Molecular Weight:
409.3620
IUPAC Name:
1,3-dibenzyl-2-phenylimidazolidin-1-ium;bromide
InChI:
InChI=1S/C23H24N2.BrH/c1-4-10-20(11-5-1)18-24-16-17-25(19-21-12-6-2-7-13-21)23(24)22-14-8-3-9-15-22;/h1-15,23H,16-19H2;1H
InChI Key:
OWMHENWXKRDRRW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC[NH+](C1c1ccccc1)Cc1ccccc1.[Br-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.371g/mol
Monoisotopic Mass:
408.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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