CAS 2498-50-2 | Benzenecarboximidamide, 4-amino-, hydrochloride (1:2) | CAS Number 2498-50-2

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2498-50-2 | Benzenecarboximidamide, 4-amino-, hydrochloride (1:2)

CAS No: 2498-50-2 Catalog No: AG002Q2R MDL No:MFCD00013001

Product Description

Catalog Number:

AG002Q2R

Chemical Name:

Benzenecarboximidamide, 4-amino-, hydrochloride (1:2)

CAS Number:

2498-50-2

Molecular Formula:

C7H11Cl2N3

Molecular Weight:

208.0883

MDL Number:

MFCD00013001

IUPAC Name:

4-aminobenzenecarboximidamide;dihydrochloride

InChI:

InChI=1S/C7H9N3.2ClH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H

InChI Key:

GHEHNICLPWTXJC-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)C(=N)N.Cl.Cl

EC Number:

219-692-2

UNII:

3C7VNU62AG

Properties

Complexity:

125

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.086g/mol

Monoisotopic Mass:

207.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV.	Bioorganic & medicinal chemistry letters 20120715
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.	Nature chemical biology 20091001