chempirical

(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

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

Similar compounds

(R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-184 % similar (S)-Tetrahydrofuran-3-ylamine hydrochloride204512-95-884 % similar Oxan-3-amine120811-32-770 % 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 (3R)-Tetrahydro-3-furanmethanamine1048962-82-842 % similar (3S)-Tetrahydro-3-furanmethanamine1048962-84-042 % 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 (R)-3-Aminotetrahydrofuran111769-26-7 N-Methylpropionamide1187-58-2 Dimethylacetamide127-19-5

Elsewhere

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