2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-, (2E)-2-butenedioate(2:3)


Chemical Name: 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-, (2E)-2-butenedioate(2:3)
CAS Number: 17360-35-9
Product Number: AG001Z36(AGN-PC-0O4WS4)
Synonyms:
MDL No:
Molecular Formula: C36H48N4O14
Molecular Weight: 760.7847

Identification/Properties


Properties
MP:
102-105 °C(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
H2O: 50 mg/mL
Computed Properties
Molecular Weight:
760.794g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
16
Rotatable Bond Count:
10
Exact Mass:
760.317g/mol
Monoisotopic Mass:
760.317g/mol
Topological Polar Surface Area:
271A^2
Heavy Atom Count:
54
Formal Charge:
0
Complexity:
412
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
5
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H300+H310+H330
Precautionary Statements:
P262-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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