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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:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
208.086g/mol
Monoisotopic Mass:
207.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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