Isoindoline-1,3-diimine


Chemical Name: Isoindoline-1,3-diimine
CAS Number: 57500-34-2
Product Number: AG003R3W(AGN-PC-0WNYBI)
Synonyms:
MDL No:
Molecular Formula: C8H7N3
Molecular Weight: 145.1613

Identification/Properties


Properties
MP:
~197 °C (dec.)(lit.)
BP:
300.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
145.165g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
145.064g/mol
Monoisotopic Mass:
145.064g/mol
Topological Polar Surface Area:
62.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
219
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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