Basic information
- CAS
3118-61-4- Standard SMILES
O=C(NCCCNC1CCCCC1)C(O)c1ccccc1- InChIKey
LCQIGJKHTYKKKW-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- Mandelamide, N-(3-(cyclohexylamino)propyl)-
- IUPAC
- N-[3-(cyclohexylamino)propyl]-2-hydroxy-2-phenylacetamide
- English name
- N-[3-(cyclohexylamino)propyl]-2-hydroxy-2-phenyl-acetamide
- Molecular formula
- C17H26N2O2
- Molecular weight
- 290.4
Names & synonyms
N-(3-(Cyclohexylamino)propyl)mandelamideMandelsaeure-(gamma-zyklohexylaminopropyl)-amid [German]3118-61-4MANDELAMIDE, N-(3-(CYCLOHEXYLAMINO)PROPYL)-Mandelsaeure-(gamma-zyklohexylaminopropyl)-amidRefChem:351897DTXSID60953260N-[3-(Cyclohexylamino)propyl](hydroxy)(phenyl)ethanimidic acidN-[3-(Cyclohexylamino)propyl]-2-hydroxy-2-phenylethanimidic acidBenzeneacetamide, N-[3-(cyclohexylamino)propyl]-α-hydroxy-N-[3-(cyclohexylamino)propyl]-2-hydroxy-2-phenyl-acetamide
Database identifiers
- CAS
3118-61-4- PubChem CID
- 18385
- DTXSID
DTXSID60953260
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 522 · 522.0±50.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 12.54 · 12.54±0.20(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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