Prolinol

C₅H₁₁NOCAS 498-63-5101.15 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
Boiling point: 148–153 °C (at 12 Torr)
logP: -0.27Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H227 Combustible liquid20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

498-63-5

SMILES

OCC1CCCN1

InChIKey

HVVNJUAVDAZWCB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

2-Pyrrolidinemethanol
2-Hydroxymethylpyrrolidine
DL-Prolinol
NSC 367102
Pyrrolidin-2-ylmethanol

Work with 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.

Prolinol68832-13-3Defined stereoisomer L-Prolinol23356-96-9Defined stereoisomer

Similar compounds

Piperidin-2-ylmethanol3433-37-285 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-252 % similar 2-Piperidineethanol1484-84-052 % similar 2-Pyrrolidinemethanamine57734-57-350 % similar 2-(Cyclohexylamino)ethanol2842-38-848 % similar (+)-Ethambutol74-55-548 % similar (S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine51207-66-044 % similar (+)-(S)-2-(Methoxymethyl)pyrrolidine63126-47-644 % 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 D-Beta-Prolinol110013-18-8 (3S)-3-Pyrrolidinemethanol110013-19-9 Oxan-3-amine120811-32-7

Elsewhere

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