α,α-Diphenyl-L-prolinol

C₁₇H₁₉NOCAS 112068-01-6253.34 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₇H₁₉NO
Molar mass: 253.34 g/mol
Exact mass: 253.1467 Da
Melting point: 73–75 °C
logP: 2.67Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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

112068-01-6

SMILES

OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1

InChIKey

OGCGXUGBDJGFFY-INIZCTEOSA-N

InChI

InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all

2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (S)-
2-Pyrrolidinemethanol, α,α-diphenyl-, (2S)-
2-Pyrrolidinemethanol, α,α-diphenyl-, (S)-
(2S)-α,α-Diphenyl-2-pyrrolidinemethanol
(S)-(-)-2-(Diphenylhydroxymethyl)pyrrolidine
(S)-α,α-Diphenyl-2-pyrrolidinemethanol
(-)-2-(Diphenylhydroxymethyl)pyrrolidine
(S)-α,α-Diphenylprolinol
(-)-α,α-Diphenylprolinol
(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol
(S)-2-(Diphenylhydroxymethyl)pyrrolidine
(-)-α,α-Diphenyl-2-pyrrolidinemethanol
(S)-α,α-Diphenylpyrrolidin-2-ylmethanol
(S)-2-(Hydroxydiphenylmethyl)pyrrolidine
(S)-Diphenyl(pyrrolidin-2-yl)methanol
(S)-α,α-Diphenylpyrrolidinemethanol
(S)-(-)-α,α-Diphenylprolinol

Work with α,α-Diphenyl-L-prolinol

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)-α,α-Diphenylprolinol22348-32-9Enantiomer

Similar compounds

Azacyclonol115-46-854 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-053 % similar α,α-Diphenyl-4-piperidinemethanol hydrochloride1798-50-150 % similar (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-144 % similar (R)-Alpha,alpha-diphenylmethylprolinol144119-12-044 % similar 2-Phenylpyrrolidine1006-64-043 % similar ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)93379-48-742 % similar (S,S)-TADDOL93379-49-842 % similar

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

Same formula

Nefopam13669-70-0

Elsewhere

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