N-(4-Hydroxycyclohexyl)acetamide
Basic information
- CAS
23363-88-4- Standard SMILES
CC(=O)NC1CCC(O)CC1- InChIKey
HWAFCRWGGRVEQL-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- N-(4-Hydroxycyclohexyl)acetamide
- IUPAC
- N-(4-hydroxycyclohexyl)acetamide
- English name
- 4-ACETAMIDOCYCLOHEXANOL
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
23363-88-4N-(4-Hydroxycyclohexyl)acetamideRefChem:1091293245-613-627489-60-7trans-4-Acetamidocyclohexanol4-AcetamidocyclohexanolN-(Trans-4-hydroxycyclohexyl)acetamideAcetamide, N-(4-hydroxycyclohexyl)-MFCD0679703827489-61-8MFCD00051422
Show more names
Ambroxol Impurity 12Ambroxol Impurity 4AcetamidocyclohexanolP-Acetaminocyclohexanol4-AcetamidocyclohaxanolN-(4-Hydroxycyclohexyl)114-Acetaminocyclohexanol4-ACETYLAMINOCYCLOHEXANONOL
N-(cis-4-Hydroxycyclohexyl)acetamiderel-N-((1r,4r)-4-Hydroxycyclohexyl)acetamideEINECS 245-613-6NSC150046N-(Trans-4-hydroxycyclohexyl);acetamideSCHEMBL49325SCHEMBL8749702N-[(1R,4R)-4-HYDROXYCYCLOHEXYL]ACETAMIDE
Database identifiers
- CAS
23363-88-4、27489-60-7- PubChem CID
- 90074
- DTXSID
DTXSID20946032- EC Number
- 245-613-6、248-491-2
- Nikkaji
- J1.247.214E、J228.940G、J250.521E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 357.2 · 357.2±31.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Dichloromethane (Slightly, Heated), DMSO (Slightly), Methanol (Slightly), Water
- form
- Solid
- pka
- 15.01 · 15.01±0.40(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 23363 · 23363-88-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924.29.9500
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Usestrans-4-Acetamidocyclohexanol is an intermediate in the synthesis of 4”-trans-Hydroxy Cilostazol (H918300), a metabolite of Cilostazol (C441500), a potent phosphodiesterase III A (PDE3A) inhibitor (IC50=0.2uM) and inhibitor of adenosine uptake. Has antimitogeni, antithrombotic, vasodilatory and cardiotonic properties in vivo. Also affects lipid levels in vivo.
Upstream & downstream products
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