CAS Registry Number: 50606-31-0

Name:

1-​Piperazinecarboxylic acid, methyl ester
1-​(Methoxycarbonyl)​piperazine; Methyl 1-​piperazinecarboxylat​e; N-​Methoxycarbonylpiper​azine; NSC 22136 

Chemical Formula: C6H12N2O2
Exact Mass: 144.09
Molecular Weight: 144.17
m/z: 144.09 (100.0%), 145.09 (7.3%)
Elemental Analysis: C, 49.98; H, 8.39; N, 19.43; O, 22.19

InChI: InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
InChIKey: MYZJIEWTRJTWCD-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC(=NC=C1Br)SC

Specification

98%

1. (1) Stewart, H. W.; Journal of Organic Chemistry 1948, V13, P134-43 CAPLUS
2. (2) Alder, Kurt; Justus Liebigs Annalen der Chemie 1954, V585, P81-96 CAPLUS
3. (3) Demuner, A. J.; Ecletica Quimica 2001, V26, P11-24 CAPLUS