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204327-96-8 | Piperazine, 1,3-bis(phenylmethyl)-, (3S)-
CAS No: 204327-96-8 Catalog No: AG0029G0 MDL No:MFCD03787922
Product Description
Catalog Number:
AG0029G0
Chemical Name:
Piperazine, 1,3-bis(phenylmethyl)-, (3S)-
CAS Number:
204327-96-8
Molecular Formula:
C18H22N2
Molecular Weight:
266.3807
MDL Number:
MFCD03787922
IUPAC Name:
(3S)-1,3-dibenzylpiperazine
InChI:
InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-18-15-20(12-11-19-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-/m0/s1
InChI Key:
AJNDRRBUHVZNKU-SFHVURJKSA-N
SMILES:
c1ccc(cc1)CN1CCN[C@H](C1)Cc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.388g/mol
Monoisotopic Mass:
266.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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