(3-Ethyl-1-adamantyl)formamide
Basic information
- CAS
415701-59-6- Standard SMILES
CCC12CC3CC(C1)CC(NC=O)(C3)C2- InChIKey
ZASDKYHQQPTTEO-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
Names & identifiers
- Preferred name
- (3-Ethyl-1-adamantyl)formamide
- IUPAC
- N-(3-ethyl-1-adamantyl)formamide
- English name
- Formamide, N-(3-ethyltricyclo[3.3.1.13,7]dec-1-yl)- (9CI)
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
Oprea1_053085(3-ethyl-1-adamantyl)formamideSCHEMBL24106000Formamide, N-(3-ethyltricyclo[3.3.1.13,7]dec-1-yl)-Formamide, N-(3-ethyltricyclo[3.3.1.13,7]dec-1-yl)- (9CI)
Database identifiers
- CAS
415701-59-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 341.5 · 341.5±9.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 16.06 · 16.06±0.40(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…