tert-Butyl 3-iodoazetidine-1-carboxylate

C₈H₁₄INO₂CAS 254454-54-1283.11 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₈H₁₄INO₂
Molar mass: 283.11 g/mol
Exact mass: 283.0069 Da
logP: 2.04Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation14.6% of notifiers
H400 Very toxic to aquatic life83.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects83.3% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

254454-54-1

SMILES

CC(C)(C)OC(=O)N1CC(C1)I

InChIKey

XPDIKRMPZNLBAC-UHFFFAOYSA-N

InChI

InChI=1S/C8H14INO2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Boc-3-iodoazetidine

Work with tert-Butyl 3-iodoazetidine-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl 3-iodopyrrolidine-1-carboxylate774234-25-276 % similar tert-Butyl 4-iodopiperidine-1-carboxylate301673-14-370 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-266 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-064 % similar 1-N-Boc-3-hydroxyazetidine141699-55-064 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-664 % similar 1-Boc-3-(amino)azetidine193269-78-264 % similar tert-Butyl 3-formylazetidine-1-carboxylate177947-96-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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