Introduction：Basic information about CAS 552-70-5|9-Methyl-9-azabicyclo[3.3.1]nonan-3-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one |
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| CAS Number | 552-70-5 | Molecular Weight | 153.22 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 246.7±15.0 °C at 760 mmHg |
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| Molecular Formula | C9H15NO | Melting Point | 63-65°C |
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| MSDS | ChineseUSA | Flash Point | 95.9±10.0 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | pseudopelletierine |
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| Synonym | More Synonyms |
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9-Methyl-9-azabicyclo[3.3.1]nonan-3-one BiologicalActivity
| Description | Pseudopelletierine is an alkaloid compound that can be used as a enzyme substrate[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Boswell, H. D., et al. Metabolism of N-alkyldiamines and N-alkylnortropinones by transformed root cultures of Nicotiana and Brugmansia. Phytochemistry, (1999).52(5), 855-869. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 246.7±15.0 °C at 760 mmHg |
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| Melting Point | 63-65°C |
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| Molecular Formula | C9H15NO |
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| Molecular Weight | 153.22 |
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| Flash Point | 95.9±10.0 °C |
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| Exact Mass | 153.115356 |
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| PSA | 20.31000 |
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| LogP | 0.63 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.497 |
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| InChIKey | RHWSKVCZXBAWLZ-UHFFFAOYSA-N |
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| SMILES | CN1C2CCCC1CC(=O)C2 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CL5593500
- CHEMICAL NAME :
- 9-Azabicyclo(3.3.1)nonan-3-one, 9-methyl-
- CAS REGISTRY NUMBER :
- 552-70-5
- LAST UPDATED :
- 198803
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H15-N-O
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,588,1948
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 230 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,588,1948
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | CL5593500 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| pseudo-Pelletierine |
| 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one |
| 9-Azabicyclo[3.3.1]nonan-3-one, 9-methyl- |
| EINECS 209-021-1 |
| MFCD00078161 |
