Basic information
- CAS
21297-84-7- Standard SMILES
O=S(=O)(CCCc1ccccc1)N1CCOCC1- InChIKey
NZNVZBOVUXBAJO-UHFFFAOYSA-N- Molecular formula
- C13H19NO3S
- Average molar mass
- 269.36 g/mol
- Monoisotopic mass
- 269.10856464
Names & identifiers
- Preferred name
- 4-(3-Phenylpropylsulfonyl)morpholine
- IUPAC
- 4-(3-phenylpropylsulfonyl)morpholine
- English name
- 4-(3-Phenylpropylsulfonyl)morpholine
- Molecular formula
- C13H19NO3S
- Molecular weight
- 269.36
Names & synonyms
4-(3-phenylpropylsulfonyl)morpholineRefChem:51339721297-84-7669-116-23-PhenylpropanesulfonmorpholideNZNVZBOVUXBAJO-UHFFFAOYSA-NAKOS0165980654-[(3-Phenylpropyl)sulfonyl]morpholine #Morpholine, 4-[(3-phenylpropyl)sulfonyl]-
Database identifiers
- CAS
21297-84-7- PubChem CID
- 560201
- EC Number
- 669-116-2
- Nikkaji
- J1.952.161C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 425.5 · 425.5±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -6.21 · -6.21±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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