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122833-04-9 | Benzenamine, 2-methoxy-4-(4-methyl-1-piperazinyl)-
CAS No: 122833-04-9 Catalog No: AG000JKH MDL No:MFCD11848954
Product Description
Catalog Number:
AG000JKH
Chemical Name:
Benzenamine, 2-methoxy-4-(4-methyl-1-piperazinyl)-
CAS Number:
122833-04-9
Molecular Formula:
C12H19N3O
Molecular Weight:
221.2988
MDL Number:
MFCD11848954
IUPAC Name:
2-methoxy-4-(4-methylpiperazin-1-yl)aniline
InChI:
InChI=1S/C12H19N3O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h3-4,9H,5-8,13H2,1-2H3
InChI Key:
LUYPGLRYFIVYTH-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)N1CCN(CC1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.304g/mol
Monoisotopic Mass:
221.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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