N-Allylmorpholine

Inquiry

Molecular Formula:

C7H13NO

Molecular Weight:

127.18

CAS Number:

696-57-1

Catalog Number:

696-57-1

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

Canonical 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 ℃

Flash Point

43 ℃

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

127.099714038 g/mol

Monoisotopic Mass

127.099714038 g/mol

Topological Polar Surface Area

12.5Å²

Heavy Atom Count

Formal Charge

Complexity

86.9

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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