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1159687-92-9 | 1-Piperazinamine, N-(4-phenylbutyl)-4-(phenylmethyl)-
CAS No: 1159687-92-9 Catalog No: AG000H88 MDL No:
Product Description
Catalog Number:
AG000H88
Chemical Name:
1-Piperazinamine, N-(4-phenylbutyl)-4-(phenylmethyl)-
CAS Number:
1159687-92-9
Molecular Formula:
C21H29N3
Molecular Weight:
323.4751
IUPAC Name:
4-benzyl-N-(4-phenylbutyl)piperazin-1-amine
InChI:
InChI=1S/C21H29N3/c1-3-9-20(10-4-1)11-7-8-14-22-24-17-15-23(16-18-24)19-21-12-5-2-6-13-21/h1-6,9-10,12-13,22H,7-8,11,14-19H2
InChI Key:
VUNFMBUWXYAXQJ-UHFFFAOYSA-N
SMILES:
C(CCc1ccccc1)CNN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.236g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.484g/mol
Monoisotopic Mass:
323.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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