1-Piperazinecarboxylic acid, 4-(1-isoquinolinyl)-, 1,1-dimethylethyl ester


Chemical Name: 1-Piperazinecarboxylic acid, 4-(1-isoquinolinyl)-, 1,1-dimethylethyl ester
CAS Number: 205264-33-1
Product Number: AG0029YQ(AGN-PC-0A6TLF)
Synonyms:
MDL No:
Molecular Formula: C18H23N3O2
Molecular Weight: 313.3941

Identification/Properties


Computed Properties
Molecular Weight:
313.401g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
313.179g/mol
Monoisotopic Mass:
313.179g/mol
Topological Polar Surface Area:
45.7A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
413
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-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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