1H-Isoindole-1,3(2H)-dione, compd. with2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)OTHER CA INDEX NAMES:Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-, compd. with1H-isoindole-1,3(2H)-dione (1:1)


Chemical Name: 1H-Isoindole-1,3(2H)-dione, compd. with2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)OTHER CA INDEX NAMES:Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-, compd. with1H-isoindole-1,3(2H)-dione (1:1)
CAS Number: 119812-51-0
Product Number: AG000PPF(AGN-PC-0PDU15)
Synonyms:
MDL No:
Molecular Formula: C17H21N3O2
Molecular Weight: 299.3675

Identification/Properties


Properties
MP:
134-137 °C
Form:
Solid
Computed Properties
Molecular Weight:
299.374g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
299.163g/mol
Monoisotopic Mass:
299.163g/mol
Topological Polar Surface Area:
61.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
353
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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