(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol

C11H15NO2CAS 163439-82-5193.25 g/mol

Open in Covalent MOL file
NOHHO
AlcoholTertiary amine

Properties

Molecular formula
C11H15NO2
Molar mass
193.25 g/mol
Exact mass
193.1103 Da
logP
0.22Crippen estimate
Polar surface area
43.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
163439-82-5
SMILES
C1[C@H]([C@@H](CN1CC2=CC=CC=C2)O)O
InChIKey
QJRIUWQPJVPYSO-GHMZBOCLSA-N
InChI
InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m1/s1

Weigh it out

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

Work with (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol

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.

(3S,4S)-1-Benzylpyrrolidine-3,4-diol90365-74-5Enantiomer

Similar compounds

N-Benzyl-3-hydroxyazetidine54881-13-970 % similar Tribenzylamine620-40-658 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-456 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-856 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-556 % similar Rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole172739-04-755 % similar 1-Benzylpiperidin-4-ol4727-72-455 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2 2-Dimethylaminoethyl benzoate2208-05-1

Elsewhere

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