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123987-13-3 | Benzenemethanol, 3-(4-methyl-1-piperazinyl)-
CAS No: 123987-13-3 Catalog No: AG000LB7 MDL No:MFCD09757582
Product Description
Catalog Number:
AG000LB7
Chemical Name:
Benzenemethanol, 3-(4-methyl-1-piperazinyl)-
CAS Number:
123987-13-3
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD09757582
IUPAC Name:
[3-(4-methylpiperazin-1-yl)phenyl]methanol
InChI:
InChI=1S/C12H18N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9,15H,5-8,10H2,1H3
InChI Key:
WUTDMUUJMMFJMQ-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)N1CCN(CC1)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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