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Home Aminos 4-{[(diaminomethylidene)amino]methyl}benzoic acid hydrochloride

4-{[(diaminomethylidene)amino]methyl}benzoic acid hydrochloride

CAS No.:
25647-25-0
Catalog Number:
AG01BBRA
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
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Product Description
Catalog Number:
AG01BBRA
Chemical Name:
4-{[(diaminomethylidene)amino]methyl}benzoic acid hydrochloride
CAS Number:
25647-25-0
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
MDL Number:
MFCD28506099
IUPAC Name:
4-[(diaminomethylideneamino)methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C9H11N3O2.ClH/c10-9(11)12-5-6-1-3-7(4-2-6)8(13)14;/h1-4H,5H2,(H,13,14)(H4,10,11,12);1H
InChI Key:
QIMITEITQPSURU-UHFFFAOYSA-N
SMILES:
NC(=NCc1ccc(cc1)C(=O)O)N.Cl
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
229.664g/mol
Monoisotopic Mass:
229.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
A specific anti-Helicobacter pylori agent NE2001: synthesis and its effect on the growth of H. pylori. Bioorganic & medicinal chemistry letters 20030818
Properties