Basic information
- CAS
16808-41-6- Standard SMILES
O=C1c2ccccc2C(=O)N1C12CC3CC(CC(C3)C1)C2- InChIKey
NNPFLBWYAZEFOL-UHFFFAOYSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.14157885
Overview
structure in first source
Names & identifiers
- Preferred name
- N-(1-adamantyl)phthalimide
- IUPAC
- 2-(1-adamantyl)isoindole-1,3-dione
- English name
- 2-(AdaMantan-1-yl)isoindoline-1,3-dione
- Molecular formula
- C18H19NO2
- Molecular weight
- 281.35
Names & synonyms
16808-41-6N-(1-Adamantyl)phthalimideDTXSID60168473RefChem:161426DTXCID00909642-(1-adamantyl)-1H-isoindole-1,3(2H)-dione2-(Adamantan-1-yl)isoindoline-1,3-dione2-(1-adamantyl)isoindole-1,3-dioneMFCD019368192-(1-adamantyl)isoindoline-1,3-dione2-(adamantan-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione1H-isoindole-1,3(2H)-dione, 2-tricyclo[3.3.1.1~3,7~]dec-1-yl-
Show more names
AIDS089084AIDS-0890842-(1-adamantyl)isoindoline-1,3-quinone1H-Isoindole-1,3(2H)-dione, 2-tricyclo[3.3.1.13,7]dec-1-yl-
CTK4D2860N-adamantylphthalimideCHEMBL389814SCHEMBL3826438ALBB-0137231H-Isoindole-1,3(2H)-dione,2-tricyclo[3.3.1.13,7]dec-1-yl-STK282264AKOS005173988
Database identifiers
- CAS
16808-41-6- PubChem CID
- 477698
- DTXSID
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 414.3 · 414.3±14.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- -2.18 · -2.18±0.20(Predicted)
Chemistry & industry
Suppliers6 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉朋和科技有限公司027-60707801 13628634921 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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