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


Chemical Name: 1-Piperazinecarboxylic acid, 4-(4-cyanophenyl)-, 1,1-dimethylethyl ester
CAS Number: 186650-98-6
Product Number: AG003E1L(AGN-PC-0KL7L0)
Synonyms:
MDL No: MFCD03791198
Molecular Formula: C16H21N3O2
Molecular Weight: 287.3568

Identification/Properties


Properties
MP:
128-126°C
BP:
445.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
287.363g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
287.163g/mol
Monoisotopic Mass:
287.163g/mol
Topological Polar Surface Area:
56.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
405
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#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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