3-Isoquinolinecarbonitrile


Chemical Name: 3-Isoquinolinecarbonitrile
CAS Number: 26947-41-1
Product Number: AG0037GL(AGN-PC-0LM84X)
Synonyms:
MDL No:
Molecular Formula: C10H6N2
Molecular Weight: 154.1680

Identification/Properties


Properties
MP:
126-128 °C(lit.)
BP:
348.9°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
154.172g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
154.053g/mol
Monoisotopic Mass:
154.053g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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