N-tert-butyl-1H-pyrrole-2-carboxamide


Chemical Name: N-tert-butyl-1H-pyrrole-2-carboxamide
CAS Number: 1228957-04-7
Product Number: AG000JQE(AGN-PC-09PZCL)
Synonyms:
MDL No:
Molecular Formula: C9H14N2O
Molecular Weight: 166.2203

Identification/Properties


Computed Properties
Molecular Weight:
166.224g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
166.111g/mol
Monoisotopic Mass:
166.111g/mol
Topological Polar Surface Area:
44.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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