O-Methyl-D-prolinol

C₆H₁₃NOCAS 84025-81-0115.18 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₆H₁₃NO
Molar mass: 115.18 g/mol
Exact mass: 115.0997 Da
logP: 0.38Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor97.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

84025-81-0

SMILES

COC[C@H]1CCCN1

InChIKey

CHPRFKYDQRKRRK-ZCFIWIBFSA-N

InChI

InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,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)-2-(Methoxymethyl)pyrrolidine

Work with O-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.

(+)-(S)-2-(Methoxymethyl)pyrrolidine63126-47-6Enantiomer

Similar compounds

Coniine3238-60-646 % similar L-Prolinol23356-96-944 % similar Prolinol498-63-544 % similar 2-Pyrrolidinemethanamine57734-57-344 % similar Prolinol68832-13-344 % similar 2-Ethylpiperidine1484-80-643 % similar 4-(Methoxymethyl)piperidine399580-55-343 % similar N-[3-(Trimethoxysilyl)propyl]cyclohexanamine3068-78-842 % 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

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