(R)-3-Aminotetrahydrofuran

C₄H₉NOCAS 111769-26-787.12 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₄H₉NO
Molar mass: 87.12 g/mol
Exact mass: 87.0684 Da
logP: -0.27Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor66.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

111769-26-7

SMILES

C1COC[C@@H]1N

InChIKey

MIPHRQMEIYLZFZ-SCSAIBSYSA-N

InChI

InChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2/t4-/m1/s1

Weigh it out

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

Work with (R)-3-Aminotetrahydrofuran

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)-3-Aminotetrahydrofuran104530-79-2Enantiomer Oxolan-3-amine88675-24-5Stereo not defined (3S)-Oxolan-3-amine hydrochloride204512-95-8Salt, enantiomer (R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-1Salt

Similar compounds

Oxan-3-amine120811-32-770 % similar 4-Aminotetrahydropyran38041-19-967 % similar Oxan-3-amine hydrochloride675112-58-061 % similar Tetrahydro-2H-pyran-4-amine hydrochloride33024-60-157 % similar 3-Oxetanamine21635-88-156 % similar (3S,4S)-3-Aminotetrahydro-2H-pyran-4-ol1240390-32-248 % similar trans-4-Aminotetrahydropyran-3-ol215940-92-448 % similar (3R)-Tetrahydro-3-furanmethanamine1048962-82-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+)-3-Pyrrolidinol100243-39-8 1-Aziridineethanol1072-52-2 Butyraldoxime110-69-0 Morpholine110-91-8 3-Methoxy-azetidine110925-17-2 N-Methylpropionamide1187-58-2 Dimethylacetamide127-19-5

Elsewhere

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