N'-{[1-(2-Methoxybenzyl)piperidin-3-yl]methyl}-n,n-dimethylethane-1,2-diamine Trihydrochloride - CAS 1185296-85-8
Catalog: |
BB059257 |
Product Name: |
N'-{[1-(2-Methoxybenzyl)piperidin-3-yl]methyl}-n,n-dimethylethane-1,2-diamine Trihydrochloride |
CAS: |
1185296-85-8 |
Synonyms: |
N'-{[1-(2-METHOXYBENZYL)PIPERIDIN-3-YL]METHYL}-N,N-DIMETHYLETHANE-1,2-DIAMINE TRIHYDROCHLORIDE; N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine; trihydrochloride; N1-((1-(2-Methoxybenzyl)piperidin-3-yl)methyl)-N2,N2-dimethylethane-1,2-diaminetrihydrochloride |
IUPAC Name: | N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N',N'-dimethylethane-1,2-diaminetrihydrochloride |
Description: | N'-{[1-(2-Methoxybenzyl)piperidin-3-yl]methyl}-n,n-dimethylethane-1,2-diamine Trihydrochloride (cas# 1185296-85-8) is a useful research chemical. |
Molecular Weight: | 414.84 |
Molecular Formula: | C18H31N3O·3HCl |
Canonical SMILES: | CN(C)CCNCC1CCCN(C1)CC2=CC=CC=C2OC.Cl.Cl.Cl |
InChI: | InChI=1S/C18H31N3O.3ClH/c1-20(2)12-10-19-13-16-7-6-11-21(14-16)15-17-8-4-5-9-18(17)22-3/h4-5,8-9,16,19H,6-7,10-15H2,1-3H33*1H |
InChI Key: | VAFRNACQOWJYRP-UHFFFAOYSA-N |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 413.176746 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 413.176746 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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