N-Allylmorpholine
Product Information
Molecular Formula
C7H13NO
Molecular Weight
127.18
Description
N-Allylmorpholine is a versatile compound widely used in the biomedical industry. It is primarily utilized as a reagent for the synthesis of pharmaceutical drugs targeting various diseases like cancer, Alzheimer's, and infectious diseases. With its unique chemical properties, N-Allylmorpholine plays a crucial role in drug discovery and development.
Synonyms
ALLYLMORPHOLINE; N-ALLYLMORPHOLINE; 4-Allylmorpholine; Morpholine, 4-(2-propenyl)-; Morpholine, 4-allyl-; N-Allymorpholine; 3-Morpholino-1-propene; 4-(2-Propenyl)morpholine
IUPAC Name
4-prop-2-enylmorpholine
SMILES
C=CCN1CCOCC1
InChI
InChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2
InChI Key
SUSANAYXICMXBL-UHFFFAOYSA-N
Boiling Point
158 °C
Flash Point
43 °C
Purity
>97.0%(GC)
Density
0.93
Appearance
Colorless to Light orange to Yellow clear liquid
Refractive Index
1.46
Safety Information
Hazards
H302 H315 H319 H226
Precautionary Statement
P501 P270 P240 P210 P233 P243 P241 P242 P271 P264 P280 P370 + P378 P337 + P313 P305 + P351 + P338 P361 + P364 P303 + P361 + P353 P332 + P313 P301 + P310 + P330 P304 + P340 + P311 P403 + P233 P403 + P235 P405
Computed Properties
XLogP3
0.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
127.099714038 g/mol
Monoisotopic Mass
127.099714038 g/mol
Topological Polar Surface Area
12.5Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
86.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021182331-A1 | Antifoggant composition and anti-fog article having antifogging film formed from said composition | 2020-03-10 |
| WO-2021127404-A1 | Tricyclic pyridones and pyrimidones | 2019-12-20 |
| TW-202132363-A | Photoinitiator and photocurable resin compositions | 2019-12-13 |
| WO-2021119242-A1 | Replication protein a (rpa)-dna interaction inhibitors | 2019-12-10 |
| WO-2021109737-A1 | Oxygen-containing heterocyclic compound, preparation method and application thereof | 2019-12-02 |
| JP-6903248-B1 | Water-based paint composition | 2019-11-01 |
| WO-2021084802-A1 | Aqueous coating composition | 2019-11-01 |
| WO-2021084804-A1 | Water-based coating composition | 2019-11-01 |
| WO-2021084805-A1 | Aqueous coating composition | 2019-11-01 |
| JP-6952932-B2 | Aqueous paint composition | 2019-11-01 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22589952 | 2012-04-01 | 4-Allyl-morpholin-4-ium bromide | Acta crystallographica. Section E, Structure reports online |
| 16542024 | 2005-10-17 | Stereoselective alpha-fluoroamide and alpha-fluoro-gamma-lactone synthesis by an asymmetric zwitterionic aza-Claisen rearrangement | Beilstein journal of organic chemistry |
