tert-Butyl 3-bromoazetidine-1-carboxylate

C₈H₁₄BrNO₂CAS 1064194-10-0236.11 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₈H₁₄BrNO₂
Molar mass: 236.11 g/mol
Exact mass: 235.0208 Da
logP: 2.00Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1064194-10-0

SMILES

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

InChIKey

RUTPPPNQDPSSBM-UHFFFAOYSA-N

InChI

InChI=1S/C8H14BrNO2/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.

Work with tert-Butyl 3-bromoazetidine-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

3-Bromo-pyrrolidine-1-carboxylic acid tert-butyl ester939793-16-576 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-870 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-266 % 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-iodoazetidine-1-carboxylate254454-54-164 % similar 3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester287193-01-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Arecoline hydrobromide300-08-3

Elsewhere

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