Home Other Building Blocks 4-{[4-(3-methylphenyl)piperazin-1-yl]methyl}aniline

4-{[4-(3-methylphenyl)piperazin-1-yl]methyl}aniline

CAS No.:
1016711-90-2
Catalog Number:
AG019MY4
Molecular Formula:
C18H23N3
Molecular Weight:
281.3953
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Product Description
Catalog Number:
AG019MY4
Chemical Name:
4-{[4-(3-methylphenyl)piperazin-1-yl]methyl}aniline
CAS Number:
1016711-90-2
Molecular Formula:
C18H23N3
Molecular Weight:
281.3953
MDL Number:
MFCD09816235
IUPAC Name:
4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]aniline
InChI:
InChI=1S/C18H23N3/c1-15-3-2-4-18(13-15)21-11-9-20(10-12-21)14-16-5-7-17(19)8-6-16/h2-8,13H,9-12,14,19H2,1H3
InChI Key:
KHQHXBNAKCNBCB-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CN1CCN(CC1)c1cccc(c1)C
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.189g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.403g/mol
Monoisotopic Mass:
281.189g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties