(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol

Basic Information

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CAS Number

498-45-3

Molecular Formula

C8H13NO2

Molecular Weight

155.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

73.0 to 77.0 deg-C

Boiling Point

281.3 ºC at 760 mmHg

Density

1.284

Flash Point

123.9 ºC

Refractive Index

1.573

SMILES

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CN1C2CC(CC1C3C2O3)O

InChI

InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8+

InChIKey

FIMXSEMBHGTNKT-RZVDLVGDSA-N

LogP

-0.4089

Topological Polar Surface Area

36.0 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

179

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

498-46-4
AKOS025400980
3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7alpha)-
Q7434451
DTXSID301151677
HY-B0459
(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
rel-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
S0912
6,7-Epoxytropine
CCG-266261
A871709
UNII-Z5LGM3Q28U
FIMXSEMBHGTNKT-RZVDLVGDSA-N
CHEMBL4303435
HMS3656M14
CHEMBL4303536
(1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol
Scopine
SCHEMBL18577687
AKOS015919589
7-Epoxytropine
Isoscopine
AC-3388
(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NONAN-7-OL
Z5LGM3Q28U
s2545
1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL, 6.BETA.,7.BETA.-EPOXY-
Scopin
DTXSID801030466

MDL Number

MFCD06658282

Customs Code

29349990

FAQ

What is (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol (CAS: 498-45-3)?

(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol is a chiral compound with a unique molecular structure. It has a complex ring system and a methyl group attached to one of the rings. This compound is primarily known for its use in pharmaceuticals and research due to its specific properties.

What are the main uses of (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol (CAS: 498-45-3)?

This compound is mainly used in the pharmaceutical industry for the development of certain drugs and as a research tool in biochemical and biophysical studies. It is also utilized in the preparation of other chemical entities for further research and development.

Is (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol (CAS: 498-45-3) safe?

The safety of (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol depends on its intended use and handling. Proper protective measures, including gloves and safety goggles, should be followed. It is important to consult the Material Safety Data Sheet (MSDS) for detailed information on handling and safety precautions.

How should (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol (CAS: 498-45-3) be stored?

(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent loss of the volatile components. Optimal storage conditions include a temperature range of 0 to 25°C and a relative humidity below 50% to ensure stability and safety during storage.