5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester
Properties
- Molecular formula
- C10H18N2O3
- Molar mass
- 214.26 g/mol
- Exact mass
- 214.1317 Da
- logP
- 0.74Crippen estimate
- Polar surface area
- 58.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
190900-21-1SMILES
CC(C)(C)OC(=O)N1CCC(=O)NCC1InChIKey
GLJYPTWEXBUATJ-UHFFFAOYSA-NInChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-N-Boc-5-oxo-1,4-diazepane
Work with 5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester
Similar compounds
1-Boc-3-oxopiperazine76003-29-775 % similar
tert-Butyl piperazine-1-carboxylate57260-71-666 % similar
tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-361 % similar
1-Boc-4-methylenepiperidine159635-49-159 % similar
tert-Butyl 1,4-diazepane-1-carboxylate112275-50-059 % similar
1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-957 % similar
1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-856 % similar
tert-Butyl 3-methylidenepyrrolidine-1-carboxylate114214-71-055 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.