N,N-diethyl-2-cyanoacetamide

CAS Number: 26391-06-0

Molecular Formula: C7H12N2O

Cyano-acetamide intermediateEntacapone intermediateTamsulosin impurity/intermediateN-heterocyclic compound synthesisNeurological disorder API building blockEndoplasmic reticulum (ER) probePolyurethane industrial productionHerbicide and fungicide intermediateAgro chemistry N,N-dimethyl versionEntacapone Impurity 5N,N-Diethyl-2-cyanoacetamide bulkFluorigenic derivatizing agentC-C bond forming reagent

N,N-diethyl-2-cyanoacetamide Specifications

CAS Number

26391-06-0

Molecular Formula

C7H12N2O

Molecular Weight

140.18300

IUPAC Name

2-cyano-N,N-diethylacetamide

Canonical SMILES

CCN(CC)C(=O)CC#N

InChI Key

2-cyano-N,N-diethylacetamide

PubChem CID

3854515

MDL Number

MFCD01332383

HSN No

2926909090

CAS Number

26391-06-0

Molecular Formula

C7H12N2O

Molecular Weight

140.18300

IUPAC Name

2-cyano-N,N-diethylacetamide

Canonical SMILES

CCN(CC)C(=O)CC#N

InChI Key

2-cyano-N,N-diethylacetamide

PubChem CID

3854515

MDL Number

MFCD01332383

HSN No

2926909090

Molecular Weight

140.18300

PSA

44.100

LogP

0.76848

Appearance

Yellow to brown liquid

Density

0.988 g/cm3

Boiling Point

254.1ºC at 760 mmHg

Flash Point

107.5ºC

Refractive Index

1.45

Vapor Pressure

0.0176mmHg at 25°C

GHS Hazard Statements

H226 (28.6%): Flammable liquids H302+H312+H332 (14.3%): Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation H302 (57.1%): Acute toxicity, oral H312 (28.6%): Acute toxicity, dermal H315 (28.6%): Skin corrosion/irritation H319 (57.1%): Serious eye damage/eye irritation H332 (28.6%): Acute toxicity, inhalation H335 (14.3%): Specific target organ toxicity, single exposure; Respiratory tract irritation H361 (28.6%): Reproductive toxicity