Basic information
- CAS
4390-39-0- Standard SMILES
O=C1CC2CCCC(C1)N2- InChIKey
JIYPUEZSSJAXBO-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Overview
9-Azabicyclo[3.3.1]nonan-3-one is a member of piperidones.
Names & identifiers
- Preferred name
- 9-Azabicyclo[3.3.1]nonan-3-one
- IUPAC
- 9-azabicyclo[3.3.1]nonan-3-one
- English name
- 9-azabicyclo[3.3.1]nonan-3-one
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
9-azabicyclo[3.3.1]nonan-3-one4390-39-09-AZA-BICYCLO[3.3.1]NONAN-3-ONENorpseudopelletierineMFCD021147219-Azabicyclo(3.3.1)nonan-3-oneNorgranatan-3-one(1S,5R)-9-azabicyclo[3.3.1]nonan-3-oneSCHEMBL16589SCHEMBL18489946DTXSID20963143CHEBI:179646
Show more names
9-AzabicycLNicotinamide Impurity 231
JIYPUEZSSJAXBO-UHFFFAOYSA-N9-azabicyclo [3.3.1]nonan-3-oneCS1263AKOS022172352SB37192AC-31865AS-46501DB-083127
Database identifiers
- CAS
4390-39-0- PubChem CID
- 145745
- DTXSID
DTXSID20963143- ChEBI
CHEBI:179646- EC Number
- 816-693-5
- Nikkaji
- J550.316G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Melting Point123 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 98 · 98-99 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 120 · 120-125 °C(Press: 0.1 Torr)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 9.31 · 9.31±0.20(Predicted)
- color
- Off-white
- FDA UNII
- 5 M098IQPN · I5M098IQPN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers28 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海九芳科技有限公司021-61150629 15921749159 · [email protected]
安徽合诺生物科技有限公司18455579438
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
Related reactions
5 records
Compound notes
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