Home Carboxys 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid dihydrochloride

3-(piperazin-1-ylmethyl)furan-2-carboxylic acid dihydrochloride

CAS No.:
1258650-94-0
Catalog Number:
AG01AALO
Molecular Formula:
C10H16Cl2N2O3
Molecular Weight:
283.1516
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Product Description
Catalog Number:
AG01AALO
Chemical Name:
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid dihydrochloride
CAS Number:
1258650-94-0
Molecular Formula:
C10H16Cl2N2O3
Molecular Weight:
283.1516
MDL Number:
MFCD17480362
IUPAC Name:
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C10H14N2O3.2ClH/c13-10(14)9-8(1-6-15-9)7-12-4-2-11-3-5-12;;/h1,6,11H,2-5,7H2,(H,13,14);2*1H
InChI Key:
RUKLPZDLFIVLSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1occc1CN1CCNCC1.Cl.Cl
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.054g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
283.149g/mol
Monoisotopic Mass:
282.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties