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1134618-26-0,MFCD09878305
Catalog No.:AA01A7T7
1134618-26-0 | methyl 2-(piperidin-4-ylmethyl)furan-3-carboxylate hydrochloride
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Purity
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250mg
95.0%
3 weeks  
$815.00   $570.00
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Technical Information
Catalog Number:
AA01A7T7
Chemical Name:
methyl 2-(piperidin-4-ylmethyl)furan-3-carboxylate hydrochloride
CAS Number:
1134618-26-0
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
MDL Number:
MFCD09878305
IUPAC Name:
methyl 2-(piperidin-4-ylmethyl)furan-3-carboxylate;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-15-12(14)10-4-7-16-11(10)8-9-2-5-13-6-3-9;/h4,7,9,13H,2-3,5-6,8H2,1H3;1H
InChI Key:
YNGZQYKUYQZUST-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccoc1CC1CCNCC1.Cl
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.73g/mol
Monoisotopic Mass:
259.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
methyl 2-(piperidin-4-ylmethyl)furan-3-carboxylate hydrochloride 
1134618-26-0 
methyl 2-(piperidin-4-ylmethyl)-3-furoate hydrochloride 
AC1Q3BVO 
CTK6J0921 
NE48796 
EN300-59960 
Literature
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