Basic information
- CAS
29518-11-4- Standard SMILES
O=C1COCCN1c1ccccc1- InChIKey
SIWXCJHUZAEIAE-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 4-Phenylmorpholin-3-ON
- IUPAC
- 4-phenylmorpholin-3-one
- English name
- 3-Morpholinone, 4-phenyl-
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
4-Phenylmorpholin-3-onEC 608-371-6RefChem:526427608-371-64-phenylmorpholin-3-one29518-11-44-phenyl-3-Morpholinone3-Morpholinone, 4-phenyl-MFCD00624822phenylmorpholin-3-oneRivaroxaban Impurity 844-phenyl morpholine-3-one
Show more names
SCHEMBL198132STL417054AKOS000416826AC-26443SY1080013-Morpholinone,4-phenyl-3-Morpholinone, 4-phenyl4-phen
Database identifiers
- CAS
29518-11-4- PubChem CID
- 5153080
- DTXSID
DTXSID00408926- UNII
- SXH59V2JFF
- EC Number
- 608-371-6
- Nikkaji
- J1.286.788C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 113 · 113-114℃
- Boiling point
- 395.2 · 395.2±35.0 °C(Predicted)
- Density
- 1.187 · 1.187
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- pka
- 0.27 · 0.27±0.20(Predicted)
- form
- Solid
- color
- Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationStatus: Active Update: 10-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13129
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Phenyl-3-morpholinone is used in studies to evaluate the bactericidal activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers85 total
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Related reactions
15 records
Compound notes
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