1-[(2S)-Oxetan-2-yl]methanamine

C₄H₉NOCAS 2091328-57-187.12 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: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2091328-57-1

SMILES

C1CO[C@@H]1CN

InChIKey

QDEFNAHLCTUWAH-BYPYZUCNSA-N

InChI

InChI=1S/C4H9NO/c5-3-4-1-2-6-4/h4H,1-3,5H2/t4-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-Oxetan-2-ylmethanamine

Work with 1-[(2S)-Oxetan-2-yl]methanamine

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

Tetrahydrofurfurylamine4795-29-370 % similar (S)-(+)-Tetrahydrofurfurylamine7175-81-770 % similar (R)-(-)-Tetrahydrofurfurylamine7202-43-970 % similar Morpholin-2-yl-methylamine116143-27-254 % similar (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-946 % similar 2-(Iodomethyl)oxetane121138-00-945 % similar 2-Hydroxymethyloxetane61266-70-445 % similar 2-(Bromomethyl)oxetane939759-23-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+)-3-Pyrrolidinol100243-39-8 (S)-3-Aminotetrahydrofuran104530-79-2 1-Aziridineethanol1072-52-2 Butyraldoxime110-69-0 Morpholine110-91-8 3-Methoxy-azetidine110925-17-2 (R)-3-Aminotetrahydrofuran111769-26-7 N-Methylpropionamide1187-58-2

Elsewhere

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