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128049-29-6 | Benzenecarboximidamide, 3-amino-, hydrochloride, hydrate (1:2:1)
CAS No: 128049-29-6 Catalog No: AG000XPJ MDL No:
Product Description
Catalog Number:
AG000XPJ
Chemical Name:
Benzenecarboximidamide, 3-amino-, hydrochloride, hydrate (1:2:1)
CAS Number:
128049-29-6
Molecular Formula:
C7H13Cl2N3O
Molecular Weight:
226.1036
IUPAC Name:
3-aminobenzenecarboximidamide;hydrate;dihydrochloride
InChI:
InChI=1S/C7H9N3.2ClH.H2O/c8-6-3-1-2-5(4-6)7(9)10;;;/h1-4H,8H2,(H3,9,10);2*1H;1H2
InChI Key:
NONQCTXZDQEZDN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=N)N.O.Cl.Cl
EC Number:
253-355-0
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
226.101g/mol
Monoisotopic Mass:
225.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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