N-Methyl-D-prolinol

C₆H₁₃NOCAS 99494-01-6115.18 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₆H₁₃NO
Molar mass: 115.18 g/mol
Exact mass: 115.0997 Da
logP: 0.07Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

99494-01-6

SMILES

CN1CCC[C@@H]1CO

InChIKey

VCOJPHPOVDIRJK-ZCFIWIBFSA-N

InChI

InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

1 names

((2R)-1-Methylpyrrolidin-2-yl)methanol

Work with N-Methyl-D-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.

(2S)-1-Methyl-2-pyrrolidinemethanol34381-71-0Enantiomer 1-Methyl-2-pyrrolidinemethanol3554-65-2Stereo not defined

Similar compounds

1-Methyl-2-piperidinemethanol20845-34-587 % similar 1-Methyl-2-pyrrolidineethanol67004-64-265 % similar 2-(2-Aminoethyl)-1-methylpyrrolidine51387-90-754 % similar (1,4-Dimethylpiperazin-2-yl)methanol14675-44-652 % similar 2-(2-Chloroethyl)-N-methylpyrrolidine hydrochloride56824-22-748 % similar 2-(2-Chloroethyl)-1-methylpiperidine hydrochloride58878-37-842 % similar Lupinine486-70-442 % similar 1-Methyl-3-piperidinemethanol7583-53-142 % similar

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

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 (3S)-Piperidin-3-ylmethanol144539-77-5 2,6-Dimethylmorpholine, (2R,6R)-171753-74-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook