Oxan-3-amine hydrochloride

C₅H₁₂ClNOCAS 675112-58-0137.61 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₅H₁₂ClNO
Molar mass: 137.61 g/mol
Exact mass: 137.0607 Da
logP: 0.55Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

675112-58-0

SMILES

C1CC(COC1)N.Cl

InChIKey

RETPVBQTPDYSBS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Tetrahydro-pyran-3-ylamine hydrochloride

Work with Oxan-3-amine hydrochloride

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-amine120811-32-7Free base

Similar compounds

(R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-174 % similar (3S)-Oxolan-3-amine hydrochloride204512-95-874 % similar (S)-3-Aminotetrahydrofuran104530-79-261 % similar (R)-3-Aminotetrahydrofuran111769-26-761 % similar Oxolan-3-amine88675-24-561 % similar Cyclobutylammonium chloride6291-01-652 % similar Tetrahydro-2H-pyran-4-amine hydrochloride33024-60-152 % similar Cyclohexylamine hydrochloride4998-76-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3S)-3-Methylmorpholine hydrochloride1022094-03-6 (2S)-2-Methylmorpholine hydrochloride1147108-99-3 (1R,3S)-3-Aminocyclopentanol hydrochloride1279032-31-3 (1R,2S)-2-Aminocyclopentanol hydrochloride137254-03-6 1,4-Oxazepane hydrochloride178312-62-4 (Tetrahydrofuran-3-yl)methanamine hydrochloride184950-35-4 (R)-3-Hydroxypiperidine hydrocloride198976-43-1 cis-(1S,2R)-2-Aminocyclopentanol hydrochloride225791-13-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook