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148546-99-0 | Benzenamine, 3-(4-methyl-1-piperazinyl)-
CAS No: 148546-99-0 Catalog No: AG001KZN MDL No:MFCD08435857
Product Description
Catalog Number:
AG001KZN
Chemical Name:
Benzenamine, 3-(4-methyl-1-piperazinyl)-
CAS Number:
148546-99-0
Molecular Formula:
C11H17N3
Molecular Weight:
191.2728
MDL Number:
MFCD08435857
IUPAC Name:
3-(4-methylpiperazin-1-yl)aniline
InChI:
InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
InChI Key:
RJGHJWKQCJAJEP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.278g/mol
Monoisotopic Mass:
191.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP). | Journal of medicinal chemistry 20011108 |
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