3-N-Boc-amino-azetidine

C₈H₁₆N₂O₂CAS 91188-13-5172.23 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₈H₁₆N₂O₂
Molar mass: 172.23 g/mol
Exact mass: 172.1212 Da
logP: 0.48Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

91188-13-5

SMILES

CC(C)(C)OC(=O)NC1CNC1

InChIKey

NEMXVXVJGXZDRR-UHFFFAOYSA-N

InChI

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)

Weigh it out

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

Work with 3-N-Boc-amino-azetidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride217806-26-3Salt

Similar compounds

(S)-3-(Boc-amino)pyrrolidine122536-76-975 % similar 3-N-Boc-aminopyrrolidine99724-19-375 % similar 3-(Boc-amino)piperidine172603-05-371 % similar tert-Butyl N-[(3S)-piperidin-3-yl]carbamate216854-23-871 % similar (R)-3-(Boc-amino)piperidine309956-78-371 % similar tert-Butyl 3-oxocyclobutylcarbamate154748-49-966 % similar N-1-Boc-amino-3-cyclopentene193751-54-166 % similar exo-3-Boc-aminotropane132234-68-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Boc-3-(amino)azetidine193269-78-2 Ethyl piperazine-1-acetate40004-08-8 Ethyl 4-amino-1-piperidinecarboxylate58859-46-4

Elsewhere

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