Home Aminos 4-[(carbamimidamidomethanimidoyl)amino]benzoic acid hydrochloride

4-[(carbamimidamidomethanimidoyl)amino]benzoic acid hydrochloride

CAS No.:
63101-32-6
Catalog Number:
AG019OLK
Molecular Formula:
C9H12ClN5O2
Molecular Weight:
257.6769
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Product Description
Catalog Number:
AG019OLK
Chemical Name:
4-[(carbamimidamidomethanimidoyl)amino]benzoic acid hydrochloride
CAS Number:
63101-32-6
Molecular Formula:
C9H12ClN5O2
Molecular Weight:
257.6769
MDL Number:
MFCD00719668
IUPAC Name:
4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoic acid;hydrochloride
InChI:
InChI=1S/C9H11N5O2.ClH/c10-8(11)14-9(12)13-6-3-1-5(2-4-6)7(15)16;/h1-4H,(H,15,16)(H6,10,11,12,13,14);1H
InChI Key:
WOUYATLTHNXCBZ-UHFFFAOYSA-N
SMILES:
NC(=N)NC(=N)Nc1ccc(cc1)C(=O)O.Cl
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
257.678g/mol
Monoisotopic Mass:
257.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties