(Oxetan-3-yl)methanamine

C₄H₉NOCAS 6246-05-587.12 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: -0.41Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed95.2% of notifiers
H315 Causes skin irritation97.6% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6246-05-5

SMILES

C1C(CO1)CN

InChIKey

KTHZBRAXOLUNBN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Aminomethyl-oxetane

Work with (Oxetan-3-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

(3R)-Tetrahydro-3-furanmethanamine1048962-82-860 % similar (3S)-Tetrahydro-3-furanmethanamine1048962-84-060 % similar (Tetrahydrofuran-3-yl)methanamine165253-31-660 % similar (Tetrahydrofuran-3-yl)methanamine hydrochloride184950-35-452 % similar 4-Aminomethyltetrahydropyran130290-79-850 % similar Cyclopropanemethanamine2516-47-447 % similar 1,4-Cyclohexanedimethanamine2549-93-147 % similar Cyclobutanemethanamine4415-83-242 % 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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