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78886-52-9 | 1,4-Isoquinolinediamine
CAS No: 78886-52-9 Catalog No: AG0054ZZ MDL No:
Product Description
Catalog Number:
AG0054ZZ
Chemical Name:
1,4-Isoquinolinediamine
CAS Number:
78886-52-9
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
IUPAC Name:
isoquinoline-1,4-diamine
InChI:
InChI=1S/C9H9N3/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H,10H2,(H2,11,12)
InChI Key:
GIIUSHQTYGRABO-UHFFFAOYSA-N
SMILES:
Nc1ncc(c2c1cccc2)N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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