CAS 1046153-00-7|6-Oxa-1-azaspiro[3.3]heptane|6-oxa-1-azaspiro[3.3]heptane|6-oxa-1-azaspiro[3.3]heptane

Molecular Formula

C₅H₉NO

Molecular Mass

99.13106

Exact Mass

99.06841391

InChI

InChI=1S/C5H9NO/c1-2-6-5(1)3-7-4-5/h6H,1-4H2

InChIKey

BCIIWQHRWPXARK-UHFFFAOYSA-N

Canonic Smiles

C1CC2(N1)COC2

Isomeric Smiles

C1CNC21COC2

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.517917

LogD (pH = 7.4)

-1.9692612

Log P

-0.5394083

Molar Refractivity

26.2241

Polarizability

10.704033

Polar Surface Area

21.26

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

54759146

Synonyms

6-Oxa-1-azaspiro[3.3]heptane

IUPAC Traditional name

6-oxa-1-azaspiro[3.3]heptane

IUPAC name

6-oxa-1-azaspiro[3.3]heptane

MDL Number

CAS Number

PubChem SID

PubChem CID

Product Information

Empirical Formula (Hill Notation)

C5H9NO

Purity

95%

Safety Information

MSDS Link

Download link

GHS Hazard statements

H315-H319-H335

TSCA Listed

否

Safety Statements

23-26-37-60

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

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Sigma Aldrich

L500542

Other Notes
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