CAS Registry Number: 121885-10-7

Name:

2-​Pyrazinecarboxamide, N-​(1,​1-​dimethylethyl)​-
Pyrazinecarboxamide, N-​(1,​1-​dimethylethyl)​- (9CI); N-​tert-​Butyl-​2-​pyrazinecarboxamide; Pyrazine-​2-​tert-​butylcarboxamide; Pyrazinecarboxylic acid tert-​butylamide; tert-​Butylaminocarbonylpy​razine 

Chemical Formula: C9H13N3O
Exact Mass: 179.11
Molecular Weight: 179.22
m/z: 179.11 (100.0%), 180.11 (9.9%), 180.10 (1.1%)
Elemental Analysis: C, 60.32; H, 7.31; N, 23.45; O, 8.93

InChI: InChI=1S/C9H13N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h4-6H,1-3H3,(H,12,13)
InChIKey: BCHLGVCVVPIQLH-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)NC(=O)C1=NC=CN=C1

Specification

98%

1. (1) Takacs, Attila; Tetrahedron 2007, V63(41), P10372-10378 CAPLUS