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1417793-64-6 | 4-Piperidinamine, 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-, hydrochloride (1:1)
CAS No: 1417793-64-6 Catalog No: AG001H3R MDL No:
Product Description
Catalog Number:
AG001H3R
Chemical Name:
4-Piperidinamine, 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-, hydrochloride (1:1)
CAS Number:
1417793-64-6
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
InChI:
InChI=1S/C14H20N2O2.ClH/c1-15-12-4-6-16(7-5-12)9-11-2-3-13-14(8-11)18-10-17-13;/h2-3,8,12,15H,4-7,9-10H2,1H3;1H
InChI Key:
ITONEDRXLMRGJY-UHFFFAOYSA-N
SMILES:
CNC1CCN(CC1)Cc1ccc2c(c1)OCO2.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.784g/mol
Monoisotopic Mass:
284.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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