1-tert-Butyl-3-hydroxyazetidine

C₇H₁₅NOCAS 13156-04-2129.20 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₇H₁₅NO
Molar mass: 129.20 g/mol
Exact mass: 129.1154 Da
Melting point: 45–46 °C
logP: 0.46Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation25% of notifiers
H336 May cause drowsiness or dizziness25% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13156-04-2

SMILES

CC(C)(C)N1CC(O)C1

InChIKey

SSQMTFZAUDZFTK-UHFFFAOYSA-N

InChI

InChI=1S/C7H15NO/c1-7(2,3)8-4-6(9)5-8/h6,9H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

3-Azetidinol, 1-(1,1-dimethylethyl)-
3-Azetidinol, 1-tert-butyl-
1-(1,1-Dimethylethyl)-3-azetidinol
1-tert-Butyl-3-azetidinol
N-tert-Butyl-3-azetidinol
NSC 148268

Work with 1-tert-Butyl-3-hydroxyazetidine

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-Butyldiethanolamine2160-93-240 % similar 1-Propylazetidin-3-ol1340301-52-137 % similar 1-N-Boc-3-hydroxyazetidine141699-55-036 % similar 1,2,2,6,6-Pentamethyl-4-piperidinol2403-89-636 % similar 1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine3637-10-336 % similar 1-tert-Butylpiperazine38216-72-735 % similar 4,4-Dimethylcyclohexan-1-ol932-01-435 % similar 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-(Piperidin-2-yl)ethanol103639-57-2 Diethylpropionamide1114-51-8 1-Ethyl-3-piperidinol13444-24-1 ((1s,4s)-4-Aminocyclohexyl)methanol1467-84-1 2-Piperidineethanol1484-84-0 1-Methylazepan-4-ol19065-49-7 1-Pyrrolidinepropanol19748-66-4 1-Methyl-4-piperidinemethanol20691-89-8

Elsewhere

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