(S)-(+)-Tetrahydrofurfurylamine

C₅H₁₁NOCAS 7175-81-7101.15 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₅H₁₁NO
Molar mass: 101.15 g/mol
Exact mass: 101.0841 Da
logP: 0.12Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation91.3% of notifiers
H319 Causes serious eye irritation91.3% of notifiers
H335 May cause respiratory irritation89.1% of notifiers

Aggregated from 46 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

7175-81-7

SMILES

C1C[C@H](OC1)CN

InChIKey

YNOGYQAEJGADFJ-YFKPBYRVSA-N

InChI

InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2/t5-/m0/s1

Weigh it out

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

Work with (S)-(+)-Tetrahydrofurfurylamine

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.

(R)-(-)-Tetrahydrofurfurylamine7202-43-9Enantiomer Tetrahydrofurfurylamine4795-29-3Stereo not defined

Similar compounds

1-[(2S)-Oxetan-2-yl]methanamine2091328-57-170 % similar Morpholin-2-yl-methylamine116143-27-250 % similar 2-(Bromomethyl)tetrahydrofuran1192-30-950 % similar (R)-(-)-Tetrahydrofurfuryl alcohol22415-59-450 % similar 2-Chloromethyl tetrahydrofuran3003-84-750 % similar Tetrahydrofurfuryl alcohol97-99-450 % similar (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-943 % similar 2-(Hydroxymethyl)tetrahydropyran100-72-142 % 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

PubChem CAS Common Chemistry NIST WebBook