Home Aminos methyl 4-{[(2-aminoethyl)amino]methyl}benzoate dihydrochloride

methyl 4-{[(2-aminoethyl)amino]methyl}benzoate dihydrochloride

CAS No.:
1258640-24-2
Catalog Number:
AG01AB8W
Molecular Formula:
C11H18Cl2N2O2
Molecular Weight:
281.1788
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Product Description
Catalog Number:
AG01AB8W
Chemical Name:
methyl 4-{[(2-aminoethyl)amino]methyl}benzoate dihydrochloride
CAS Number:
1258640-24-2
Molecular Formula:
C11H18Cl2N2O2
Molecular Weight:
281.1788
MDL Number:
MFCD17977119
IUPAC Name:
methyl 4-[(2-aminoethylamino)methyl]benzoate;dihydrochloride
InChI:
InChI=1S/C11H16N2O2.2ClH/c1-15-11(14)10-4-2-9(3-5-10)8-13-7-6-12;;/h2-5,13H,6-8,12H2,1H3;2*1H
InChI Key:
HWTFBEGVSYWUMM-UHFFFAOYSA-N
SMILES:
NCCNCc1ccc(cc1)C(=O)OC.Cl.Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
281.177g/mol
Monoisotopic Mass:
280.075g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties