Basic information
- CAS
25717-05-9- Standard SMILES
O=C(CCCl)NC12CC3CC(CC(C3)C1)C2- InChIKey
SHWIIKLJYCCNSU-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO
- Average molar mass
- 241.76 g/mol
- Monoisotopic mass
- 241.123342
Names & identifiers
- Preferred name
- Propionamide, N-(1-adamantyl)-3-chloro-
- IUPAC
- N-(1-adamantyl)-3-chloropropanamide
- English name
- N-(1-Adamantyl)-3-chloropropionamide
- Molecular formula
- C13H20ClNO
- Molecular weight
- 241.76
Names & synonyms
25717-05-9Propionamide, N-(1-adamantyl)-3-chloro-N-(1-Adamantyl)-3-chloropropionamideBRN 2939920DTXSID90180406RefChem:374972DTXCID60102897N-(1-adamantyl)-3-chloropropanamideN-(adamantan-1-yl)-3-chloropropanamideSCHEMBL9743900AKOS000103759AKOS000155114
Show more names
Propanamide, 3-chloro-N-tricyclo[3.3.1.13,7]dec-1-yl-
Database identifiers
- CAS
25717-05-9- PubChem CID
- 64243
- DTXSID
DTXSID90180406- Nikkaji
- J87.392F
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 261
Physicochemical properties
- Melting point
- 125 · 125-126 °C
- Boiling point
- 405.5 · 405.5±24.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 15.24 · 15.24±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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