N-(3-nitrophenyl)adamantane-1-carboxamide
Basic information
- CAS
121768-32-9- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2- InChIKey
TZDCWSSFXSVSEK-UHFFFAOYSA-N- Molecular formula
- C17H20N2O3
- Average molar mass
- 300.35 g/mol
- Monoisotopic mass
- 300.1473925
Names & identifiers
- Preferred name
- N-(3-nitrophenyl)adamantane-1-carboxamide
- IUPAC
- N-(3-nitrophenyl)adamantane-1-carboxamide
- English name
- N1-(3-nitrophenyl)-1-adamantanecarboxamide
- Molecular formula
- C17H20N2O3
- Molecular weight
- 300.35
Names & synonyms
N-(3-nitrophenyl)adamantane-1-carboxamide121768-32-9ZINC03995276N1-(3-nitrophenyl)-1-adamantanecarboxamideZINC3995276Adamantane-1-carboxylic acid (3-nitro-phenyl)-amide1-Adamantanecarboxamide, N-(3-nitrophenyl)-adamantanyl-N-(3-nitrophenyl)carboxamideCambridge id 5144428Oprea1_081636Oprea1_268753CBDivE_013948
Show more names
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-(3-nitrophenyl)-
(3r,5r,7r)-N-(3-nitrophenyl)adamantane-1-carboxamideSCHEMBL14503265TZDCWSSFXSVSEK-UHFFFAOYSA-NDTXSID501376897MFCD00194293SBB081807STK019988AKOS000550508
Database identifiers
- CAS
121768-32-9- PubChem CID
- 532255
- DTXSID
DTXSID501376897- EC Number
- 688-621-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 184 · 184-186 °C(Solv: ethanol (64-17-5))
- Boiling point
- 496.3 · 496.3±28.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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