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1989672-45-8 | "isoquinoline-1,4-diamine dihydrochloride"
CAS No: 1989672-45-8 Catalog No: AG01FMF8 MDL No:MFCD30342699
Product Description
Catalog Number:
AG01FMF8
Chemical Name:
"isoquinoline-1,4-diamine dihydrochloride"
CAS Number:
1989672-45-8
Molecular Formula:
C9H11Cl2N3
Molecular Weight:
232.1097
MDL Number:
MFCD30342699
IUPAC Name:
isoquinoline-1,4-diamine;dihydrochloride
InChI:
InChI=1S/C9H9N3.2ClH/c10-8-5-12-9(11)7-4-2-1-3-6(7)8;;/h1-5H,10H2,(H2,11,12);2*1H
InChI Key:
XCCJTGQMPCZEFG-UHFFFAOYSA-N
SMILES:
Nc1ncc(c2c1cccc2)N.Cl.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
232.108g/mol
Monoisotopic Mass:
231.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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