D-Beta-Prolinol

C₅H₁₁NOCAS 110013-18-8101.15 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₅H₁₁NO
Molar mass: 101.15 g/mol
Exact mass: 101.0841 Da
logP: -0.41Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

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

Aggregated from 2 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

110013-18-8

SMILES

C1CNC[C@@H]1CO

InChIKey

QOTUIIJRVXKSJU-RXMQYKEDSA-N

InChI

InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-Pyrrolidin-3-ylmethanol

Work with D-Beta-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.

(3S)-3-Pyrrolidinemethanol110013-19-9Enantiomer (Pyrrolidin-3-yl)methanol5082-74-6Stereo not defined

Similar compounds

(3S)-Piperidin-3-ylmethanol144539-77-573 % similar 3-Piperidinemethanol4606-65-973 % similar 4-Piperidinemethanol6457-49-470 % similar (Azetidin-3-yl)methanol hydrochloride928038-44-252 % similar 4-Piperidineethanol622-26-446 % similar Cyclohexanedimethanol105-08-845 % similar Cyclopropanemethanol2516-33-845 % similar trans-1,4-Cyclohexanedimethanol3236-48-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-(+)-1-Methyl-3-pyrrolidinol104641-59-0 (3R)-1-Methyl-3-pyrrolidinol104641-60-3 (3R)-Tetrahydro-3-furanmethanamine1048962-82-8 (3S)-Tetrahydro-3-furanmethanamine1048962-84-0 N-Methylmorpholine109-02-4 Oxan-3-amine120811-32-7 1-Methyl-3-pyrrolidinol13220-33-2

Elsewhere

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