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CAS Number: 179686-38-5
tert-butyl 3-oxo-1,4-diazepane-1-carboxylate

Structure

tert-butyl 3-oxo-1,4-diazepane-1-carboxylate
Name: tert-butyl 3-oxo-1,4-diazepane-1-carboxylate
Synonyms:
General Information
Product Number: 179686385
CAS Registry Number: 179686-38-5
Name:
1H-​1,​4-​Diazepine-​1-​carboxylic acid, hexahydro-​3-​oxo-​, 1,​1-​dimethylethyl ester
tert-​Butyl 3-​oxo-​1,​4-​diazepane-​1-​carboxylate; tert-​Butyl Hexahydro-​3-​oxo-​1H-​1,​4-​diazepine-​1-​carboxylate 
 
Chemical Formula: C10H18N2O3
Exact Mass: 214.13
Molecular Weight: 214.26
m/z: 214.13 (100.0%), 215.14 (11.1%), 216.14 (1.2%)
Elemental Analysis: C, 56.06; H, 8.47; N, 13.07; O, 22.40
 
InChI: InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-8(13)7-12/h4-7H2,1-3H3,(H,11,13)
InChIKey: ITRUBUQWGNAYGG-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCCNC(=O)C1

Specification

98%

References
  1. (1) Biftu, Tesfaye; WO 2004037169 A2 2004 CAPLUS
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