Basic information
- CAS
3717-49-5- Standard SMILES
CCCC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
RRYKBXANMSXVQC-UHFFFAOYSA-N- Molecular formula
- C14H23NO
- Average molar mass
- 221.34 g/mol
- Monoisotopic mass
- 221.17796436
Names & identifiers
- Preferred name
- N-Adamantan-1-YL-butyramide
- IUPAC
- N-(1-adamantyl)butanamide
- English name
- Butanamide, N-tricyclo[3.3.1.13,7]dec-1-yl-
- Molecular formula
- C14H23NO
- Molecular weight
- 221.34
Names & synonyms
Oprea1_100815SCHEMBL10923735N-ADAMANTAN-1-YL-BUTYRAMIDEAKOS003745179Butanamide, N-tricyclo[3.3.1.13,7]dec-1-yl-
Database identifiers
- CAS
3717-49-5- PubChem CID
- 3746023
- EC Number
- 152-193-7
- Nikkaji
- J2.201.974K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 119.1 · 119.1-120.0 °C
- Boiling point
- 378.8 · 378.8±9.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 16.16 · 16.16±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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