chempirical

(R)-3-Quinuclidinol hydrochloride

C7H14ClNOCAS 42437-96-7163.64 g/mol

Open in Covalent MOL file
NHOHCl
AlcoholTertiary amine

Properties

Molecular formula
C7H14ClNO
Molar mass
163.64 g/mol
Exact mass
163.0764 Da
logP
0.49Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
42437-96-7
SMILES
C1CN2CCC1[C@H](C2)O.Cl
InChIKey
OYEJRVVBERZWPD-FJXQXJEOSA-N
InChI
InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H/t7-;/m0./s1

Weigh it out

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

Work with (R)-3-Quinuclidinol hydrochloride

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-Quinuclidinol25333-42-0Free base (+-)-3-Quinuclidinol1619-34-7Free base, stereo not defined (S)-(+)-3-Quinuclidinol34583-34-1Free base, enantiomer 3-Quinuclidinol hydrochloride6238-13-7Stereo not defined

Similar compounds

(S)-3-Aminoquinuclidine dihydrochloride119904-90-450 % similar (R)-(+)-3-Aminoquinuclidine dihydrochloride123536-14-150 % similar 1-Azabicyclo[2.2.2]oct-3-ylamine dihydrochloride6530-09-250 % similar cis-3,4-Dihydroxypyrrolid...186393-21-533 % similar (1R,2S)-2-Aminocyclopentanol hydrochloride137254-03-632 % similar cis-(1S,2R)-2-Aminocyclopentanol hydrochloride225791-13-932 % similar trans-(1R,2R)-2-Aminocyclopentanol hydrochloride31775-67-432 % similar trans-2-Aminocyclohexanol hydrochloride5456-63-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nortropine hydrochloride14383-51-8 N,N-Bis(1-methylethyl)carbamic chloride19009-39-3 1-Methylhexahydro-4-azepinone hydrochloride19869-42-2 4-(3-Chloropropyl)morpholine7357-67-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook