1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester


Chemical Name: 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number: 122684-33-7
Product Number: AG0017NB(AGN-PC-0K6A53)
Synonyms:
MDL No: MFCD04038683
Molecular Formula: C11H19NO4
Molecular Weight: 229.2729

Identification/Properties


Properties
BP:
105℃/0.2mm
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.4560 to 1.4600
Computed Properties
Molecular Weight:
229.276g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
229.131g/mol
Monoisotopic Mass:
229.131g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
282
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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