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113913-38-5 | Piperazine, 1-(4-chloro-2-buten-1-yl)-4-(diphenylmethyl)-
CAS No: 113913-38-5 Catalog No: AG000A1G MDL No:
Product Description
Catalog Number:
AG000A1G
Chemical Name:
Piperazine, 1-(4-chloro-2-buten-1-yl)-4-(diphenylmethyl)-
CAS Number:
113913-38-5
Molecular Formula:
C21H25ClN2
Molecular Weight:
340.8896
IUPAC Name:
1-benzhydryl-4-(4-chlorobut-2-enyl)piperazine
InChI:
InChI=1S/C21H25ClN2/c22-13-7-8-14-23-15-17-24(18-16-23)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-12,21H,13-18H2
InChI Key:
LLEMDYLEQUKYAO-UHFFFAOYSA-N
SMILES:
ClCC=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.171g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.895g/mol
Monoisotopic Mass:
340.171g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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