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16154-69-1 | Benzenamine, 4-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 16154-69-1 Catalog No: AG001VOS MDL No:MFCD00172704
Product Description
Catalog Number:
AG001VOS
Chemical Name:
Benzenamine, 4-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
16154-69-1
Molecular Formula:
C17H21N3
Molecular Weight:
267.3687
MDL Number:
MFCD00172704
IUPAC Name:
4-(4-benzylpiperazin-1-yl)aniline
InChI:
InChI=1S/C17H21N3/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14,18H2
InChI Key:
PZWVVLZWQWIEAV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.376g/mol
Monoisotopic Mass:
267.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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