(S)-3-Aminotetrahydrofuran

C4H9NOCAS 104530-79-287.12 g/mol

Open in Covalent MOL file
OH2N
EtherPrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
104530-79-2
SMILES
C1COC[C@H]1N
InChIKey
MIPHRQMEIYLZFZ-BYPYZUCNSA-N
InChI
InChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2/t4-/m0/s1

Weigh it out

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

Work with (S)-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.

(R)-3-Aminotetrahydrofuran111769-26-7Enantiomer Oxolan-3-amine88675-24-5Stereo not defined (3S)-Oxolan-3-amine hydrochloride204512-95-8Salt (R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-1Salt, enantiomer

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

PubChem CAS Common Chemistry NIST WebBook