(R)-3-Quinuclidinol

C₇H₁₃NOCAS 25333-42-0127.19 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₇H₁₃NO
Molar mass: 127.19 g/mol
Exact mass: 127.0997 Da
Melting point: 219 °C
logP: 0.07Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

Danger

H228 Flammable solid47.8% of notifiers
H302 Harmful if swallowed73.9% of notifiers
H314 Causes severe skin burns and eye damage91.3% of notifiers
H317 May cause an allergic skin reaction39.1% of notifiers

Aggregated from 23 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P370+P378, P405, P501

Identifiers

CAS number

25333-42-0

SMILES

O[C@H]1CN2CCC1CC2

InChIKey

IVLICPVPXWEGCA-ZETCQYMHSA-N

InChI

InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all

1-Azabicyclo[2.2.2]octan-3-ol, (3R)-
3-Quinuclidinol, (-)-
1-Azabicyclo[2.2.2]octan-3-ol, (R)-
(3R)-1-Azabicyclo[2.2.2]octan-3-ol
l-3-Quinuclidinol
(R)-(-)-3-Quinuclidinol
(R)-1-Azabicyclo[2.2.2]octan-3-ol
(-)-3-Quinuclidinol
(3R)-Quinuclidin-3-ol
(3R)-3-Quinuclidinol
(R)-3-Hydroxyquinuclidine
(R)-3-Quinuclidol
(R)-(-)-1-Azabicyclo[2.2.2]octan-3-ol
R-Quinuclidin-3-ol
(-)-(R)-3-Quinuclidinol
(3R)-Quinuclidinol

Work with (R)-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.

(S)-(+)-3-Quinuclidinol34583-34-1Enantiomer (+-)-3-Quinuclidinol1619-34-7Stereo not defined 3-Quinuclidinol hydrochloride6238-13-7Salt, stereo not defined (R)-3-Quinuclidinol hydrochloride42437-96-7Salt

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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