chempirical

1-tert-Butyl-3-hydroxyazetidine

C7H15NOCAS 13156-04-2129.20 g/mol

Open in Covalent MOL file
NOH
AlcoholTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

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 1,2,2,6,6-Pentamethyl-4-piperidinol2403-89-636 % similar 1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine3637-10-336 % similar 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-634 % similar 4-Hydroxy-tempo2226-96-234 % similar 4-Hydroxy-2,2,6,6-tetramethylpiperidine2403-88-533 % similar Hydrogenated bisphenol A80-04-633 % similar (S)-(+)-1-Methyl-3-pyrrolidinol104641-59-032 % 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-Pyrrolidinepropanol19748-66-4 1-Methyl-2-piperidinemethanol20845-34-5 trans-4-(Methylamino)cyclohexanol22348-44-3

Elsewhere

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