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1417793-48-6 | Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-, hydrochloride (1:1)
CAS No: 1417793-48-6 Catalog No: AG001H45 MDL No:
Product Description
Catalog Number:
AG001H45
Chemical Name:
Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-, hydrochloride (1:1)
CAS Number:
1417793-48-6
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperazine;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c1-10-7-14-4-5-15(10)8-11-2-3-12-13(6-11)17-9-16-12;/h2-3,6,10,14H,4-5,7-9H2,1H3;1H
InChI Key:
SYROKAAWGJQAII-UHFFFAOYSA-N
SMILES:
CC1CNCCN1Cc1ccc2c(c1)OCO2.Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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