4-Benzyl-2-morpholinecarbonitrile

Basic Information

View in Editor

CAS Number

126645-52-1

Molecular Formula

C12H14N2O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

343.1°C at 760 mmHg

Flash Point

161.3℃

Refractive Index

1.568

SMILES

View in Editor

C1COC(CN1CC2=CC=CC=C2)C#N

InChI

InChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2

InChIKey

NAWYNSSXFPEQKE-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

239

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

SY007379
4-benzyl-mopholin-2-carbonitrile
NAWYNSSXFPEQKE-UHFFFAOYSA-N
FT-0651323
AB48893
4-(Phenylmethyl)-2-morpholinecarbonitrile
AKOS005264742
A847556
2-cyano-4-benzyl-morpholine
FS-2700
Z875114164
4-benzylmorpholine-2-carbonitrile
CS-W015499
4-Benzyl-morpholine-2-carbonitrile
EN300-57302
CHEMBL4548724
AM20020356
4-Benzylmorpholine-2-carbonitrile, AldrichCPR
MFCD08751344
DTXSID00576336
2-MORPHOLINECARBONITRILE, 4-(PHENYLMETHYL)-
SCHEMBL917106
126645-52-1
4-Benzylmorpholine-2-carbonitrile
2-Morpholinecarbonitrile,4-(phenylmethyl)-
4-benzyl-2-cyanomorpholine
4-Benzyl-2-morpholinecarbonitrile
4-benzylmorpholin-2-carbonitrile
4-benzyl-morpholine-2-carbonitrile
4-benzylmorpholine-2-carbonitrile(SALTDATA: FREE)
N-benzyl cyanomorpholine

MDL Number

MFCD08751344

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Benzyl-2-morpholinecarbonitrile (CAS: 126645-52-1)?

4-Benzyl-2-morpholinecarbonitrile is a colorless to white crystalline solid with a molecular weight of approximately 243.28 g/mol. It has a low water solubility, with a solubility of about 0.5 g/L. It is moderately reactive, particularly with strong acids and bases. It is stable at room temperature but should be handled with care due to its chemical reactivity.

How is 4-Benzyl-2-morpholinecarbonitrile (CAS: 126645-52-1) typically synthesized?

4-Benzyl-2-morpholinecarbonitrile is typically synthesized by the reaction of morpholine with benzonitrile in the presence of a catalyst, such as an acid or base. The reaction is highly selective and yields up to 90% of the desired product. Common solvents include toluene and chloroform.

What industries use 4-Benzyl-2-morpholinecarbonitrile (CAS: 126645-52-1)?

4-Benzyl-2-morpholinecarbonitrile is used in various industries, including pharmaceuticals, where it acts as a precursor in the synthesis of drugs. It is also utilized in polymer synthesis, as a building block in organic electronics, and in the production of sensors and semiconductors.

What precautions should be taken when handling 4-Benzyl-2-morpholinecarbonitrile (CAS: 126645-52-1)?

When handling 4-Benzyl-2-morpholinecarbonitrile, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.