1,4-Oxazepane hydrochloride

C₅H₁₂ClNOCAS 178312-62-4137.61 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₅H₁₂ClNO
Molar mass: 137.61 g/mol
Exact mass: 137.0607 Da
logP: 0.42Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H304 May be fatal if swallowed and enters airways11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H314 Causes severe skin burns and eye damage11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H318 Causes serious eye damage11.1% of notifiers
H319 Causes serious eye irritation77.8% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

178312-62-4

SMILES

C1CNCCOC1.Cl

InChIKey

LJRCWNIWOVZLKS-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H

Weigh it out

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

Names and synonyms

1 names

Homomorpholine hydrochloride

Work with 1,4-Oxazepane 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

Similar compounds

Morpholinium chloride10024-89-278 % similar Morpholine110-91-861 % similar Diaza-18-crown-623978-55-458 % similar 1,4,10-Trioxa-7,13-diazacyclopentadecane31249-95-358 % similar Aza-18-crown-633941-15-058 % similar Aza-15-crown-566943-05-358 % similar Azetidine hydrochloride36520-39-553 % similar Piperidinium chloride6091-44-750 % 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 (Tetrahydrofuran-3-yl)methanamine hydrochloride184950-35-4 (R)-3-Hydroxypiperidine hydrocloride198976-43-1 cis-(1S,2R)-2-Aminocyclopentanol hydrochloride225791-13-9 Dimethylamine-epichlorohydrin copolymer25988-97-0

Elsewhere

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