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115248-47-0 | Benzoic acid, 2-[(2-aminoethyl)amino]-, hydrochloride (1:1)
CAS No: 115248-47-0 Catalog No: AG000GIC MDL No:
Product Description
Catalog Number:
AG000GIC
Chemical Name:
Benzoic acid, 2-[(2-aminoethyl)amino]-, hydrochloride (1:1)
CAS Number:
115248-47-0
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
IUPAC Name:
2-(2-aminoethylamino)benzoic acid;hydrochloride
InChI:
InChI=1S/C9H12N2O2.ClH/c10-5-6-11-8-4-2-1-3-7(8)9(12)13;/h1-4,11H,5-6,10H2,(H,12,13);1H
InChI Key:
QJINZEUIGBJGJR-UHFFFAOYSA-N
SMILES:
NCCNc1ccccc1C(=O)O.Cl
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
216.665g/mol
Monoisotopic Mass:
216.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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