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1417793-72-6 | 4-Piperidinemethanamine, 1-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride (1:1)
CAS No: 1417793-72-6 Catalog No: AG001H50 MDL No:
Product Description
Catalog Number:
AG001H50
Chemical Name:
4-Piperidinemethanamine, 1-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride (1:1)
CAS Number:
1417793-72-6
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
IUPAC Name:
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
InChI:
InChI=1S/C14H20N2O2.ClH/c15-8-11-3-5-16(6-4-11)9-12-1-2-13-14(7-12)18-10-17-13;/h1-2,7,11H,3-6,8-10,15H2;1H
InChI Key:
DKQOJAYOXLQNJC-UHFFFAOYSA-N
SMILES:
NCC1CCN(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:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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