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1052540-65-4 | Debrisoquin Hydroiodide
CAS No: 1052540-65-4 Catalog No: AG01AASA MDL No:MFCD07681953
Product Description
Catalog Number:
AG01AASA
Chemical Name:
Debrisoquin Hydroiodide
CAS Number:
1052540-65-4
Molecular Formula:
C10H14IN3
Molecular Weight:
303.1427
MDL Number:
MFCD07681953
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
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