Oxan-3-amine

C₅H₁₁NOCAS 120811-32-7101.15 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: 0

Hazards

Danger

H226 Flammable liquid and vapor25% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

120811-32-7

SMILES

C1CC(COC1)N

InChIKey

WUUOEJJGRCQGBQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2H-Pyran-3-amine, tetrahydro-

Work with Oxan-3-amine

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.

Oxan-3-amine hydrochloride675112-58-0Salt

Similar compounds

(S)-3-Aminotetrahydrofuran104530-79-270 % similar (R)-3-Aminotetrahydrofuran111769-26-770 % similar Oxolan-3-amine88675-24-570 % similar (R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-161 % similar (3S)-Oxolan-3-amine hydrochloride204512-95-861 % similar 3-Oxetanamine21635-88-150 % similar 4-Aminotetrahydropyran38041-19-945 % similar Cyclopentylamine1003-03-845 % 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 1-Methyl-3-pyrrolidinol13220-33-2

Elsewhere

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