Home Aminos 3-{[(1-methylpiperidin-4-yl)methyl]amino}benzoic acid dihydrochloride

3-{[(1-methylpiperidin-4-yl)methyl]amino}benzoic acid dihydrochloride

CAS No.:
2060025-00-3
Catalog Number:
AG01C0LU
Molecular Formula:
C14H22Cl2N2O2
Molecular Weight:
321.2427
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Product Description
Catalog Number:
AG01C0LU
Chemical Name:
3-{[(1-methylpiperidin-4-yl)methyl]amino}benzoic acid dihydrochloride
CAS Number:
2060025-00-3
Molecular Formula:
C14H22Cl2N2O2
Molecular Weight:
321.2427
MDL Number:
MFCD30535686
IUPAC Name:
3-[(1-methylpiperidin-4-yl)methylamino]benzoic acid;dihydrochloride
InChI:
InChI=1S/C14H20N2O2.2ClH/c1-16-7-5-11(6-8-16)10-15-13-4-2-3-12(9-13)14(17)18;;/h2-4,9,11,15H,5-8,10H2,1H3,(H,17,18);2*1H
InChI Key:
WKTGIQAMKSJLLD-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)CNc1cccc(c1)C(=O)O.Cl.Cl
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.106g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
321.242g/mol
Monoisotopic Mass:
320.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties