3-Acetylnoradamantane
Basic information
- CAS
29844-80-2- Standard SMILES
CC(=O)C12CC3CC(CC1C3)C2- InChIKey
VMCFOTARMDNPPQ-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 3-Acetylnoradamantane
- IUPAC
- 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanone
- English name
- 3-Acetylnoradamantane
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
3-Acetylnoradamantane29844-80-21-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)ethan-1-onestarbld00069041-{tricyclo[3.3.1.0?,?]nonan-3-yl}ethan-1-oneSCHEMBL3242289SCHEMBL3605688VMCFOTARMDNPPQ-UHFFFAOYSA-N58275-58-41-(octahydro-2,5-methanopentalen-3a-yl)ethanoneEthanone, 1-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-
Database identifiers
- CAS
29844-80-2- PubChem CID
- 538047
- EC Number
- 114-222-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 212 °C · 212 °C(lit.)
- Density
- 1.044 g/mL · 1.044 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.502(lit.)
- Flash point
- 215 °F · 215 °F
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses3-Acetylnoradamantane is a stain/dye.Dyes and metabolites.
Suppliers
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Related reactions
0 records
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Compound notes
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