(+-)-3-Quinuclidinol

C7H13NOCAS 1619-34-7127.19 g/mol

Open in Covalent MOL file
OHN
AlcoholTertiary amine

Properties

Molecular formula
C7H13NO
Molar mass
127.19 g/mol
Exact mass
127.0997 Da
Melting point
221 °C
logP
0.07Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
1619-34-7
SMILES
OC1CN2CCC1CC2
InChIKey
IVLICPVPXWEGCA-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2

Weigh it out

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

Names and synonyms

11 names
  • (±)-3-Quinuclidinol
  • 1-Azabicyclo[2.2.2]octan-3-ol
  • 3-Quinuclidinol
  • (±)-1-Azabicyclo[2.2.2]octan-3-ol
  • 3-Hydroxyquinuclidine
  • Dl-3-Quinuclidinol
  • NSC 93905
  • 1-Azabicyclo[2.2.2]oct-3-yl alcohol
  • 3-Hydroxy-1-azabicyclo[2.2.2]octane
  • (RS)-3-Quinuclidinol
  • 4-Azabicyclo[2.2.2]octan-2-ol

Work with (+-)-3-Quinuclidinol

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.

(R)-3-Quinuclidinol25333-42-0Defined stereoisomer (S)-(+)-3-Quinuclidinol34583-34-1Defined stereoisomer 3-Quinuclidinol hydrochloride6238-13-7Salt (R)-3-Quinuclidinol hydrochloride42437-96-7Salt, defined stereoisomer

Similar compounds

(S)-3-Aminoquinuclidine dihydrochloride119904-90-439 % similar (R)-(+)-3-Aminoquinuclidine dihydrochloride123536-14-139 % similar 1-Azabicyclo[2.2.2]oct-3-ylamine dihydrochloride6530-09-239 % similar 1-Ethyl-3-pyrrolidinol30727-14-134 % similar 1,1′,1′′,1′′′-[[(2-Hydroxypropyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis[2-propanol]17121-34-533 % similar Aceclidine827-61-232 % similar (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-532 % similar Castanospermine79831-76-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butylacrylamide107-58-4 Cyclohexanecarboxamide1122-56-1 N-Isopropylmethacrylamide13749-61-6 2-Oxa-7-azaspiro[3.5]nonane241820-91-7 1-Aza-2-methoxy-1-cycloheptene2525-16-8 Hexyl isocyanate2525-62-4 N-Methylcaprolactam2556-73-2

Elsewhere

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