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Debrisoquin Hydroiodide

CAS No.:
1052540-65-4
Catalog Number:
AG01AASA
Molecular Formula:
C10H14IN3
Molecular Weight:
303.1427
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Product Description
Catalog Number:
AG01AASA
Chemical Name:
Debrisoquin Hydroiodide
CAS Number:
1052540-65-4
Molecular Formula:
C10H14IN3
Molecular Weight:
303.1427
IUPAC Name:
3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
InChI:
InChI=1S/C10H13N3.HI/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;/h1-4H,5-7H2,(H3,11,12);1H
InChI Key:
FSDNBVFWOCFLIE-UHFFFAOYSA-N
SMILES:
NC(=N)N1CCc2c(C1)cccc2.I
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.023g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
303.147g/mol
Monoisotopic Mass:
303.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties