N,N-Diethylnicotinamide

HCID 5497

Basic information

CAS
59-26-7
Standard SMILES
CCN(CC)C(=O)c1cccnc1
InChIKey
NCYVXEGFNDZQCU-UHFFFAOYSA-N
Molecular formula
C10H14N2O
Average molar mass
178.23 g/mol
Monoisotopic mass
178.11061307

Overview

Nicethamid appears as clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth. (NTP, 1992)

Names & identifiers

Preferred name
N,N-Diethylnicotinamide
IUPAC
N,N-diethylpyridine-3-carboxamide
English name
N,N-Diethylnicotinamide
Molecular formula
C10H14N2O
Molecular weight
178.23

Names & synonyms

NikethamideN,N-DIETHYLNICOTINAMIDE59-26-7NicethamideNikethylNiquetamidaN,N-diethylpyridine-3-carboxamideNicethamidumCarditonicDiaethylamidum acidi nicotiniciDTXSID9046524NSC-130820
Show more names
NikotinNiketamideCORVOTONETonocardnicorNi-CorCorivoCormedCormid
368IVD6M32DTXCID7026524CorethamidNizethamidDiethylnicotinamidNicotinic DiethylamideNIKETHAMIDUMDiethylamide, Nicotinic

Database identifiers

CAS
59-26-7
PubChem CID
5497
DTXSID
DTXSID9046524
ChEMBL
CHEMBL2104607
ChEBI
CHEBI:134814
UNII
368IVD6M32
EC Number
200-418-5
Nikkaji
J5.179I

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
33.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Drugs · 2 items

DEA NFLIS-Drug Category -> Stimulants

Pharmaceuticals -> Used in Switzerland

SpringerMaterials PropertiesChemical shift
Density1.058 to 1.066 at 77 °F (NTP, 1992)
Solubilitygreater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
Flash Point235 °F (NTP, 1992)
Human DrugsPharmaceuticals

Physicochemical properties

Melting point
23 °C · 23 °C (lit.)
Boiling point
296 · 296-300 °C (lit.)
Density
1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.524(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 02-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19676

3-Pyridinecarboxamide, N,N-diethyl-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity ProfileNICETHAMID is incompatible with sodium carbonate solutions which cause precipitation. (NTP, 1992).

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
QS4375000
ridadr
UN 2811 6.1/PG 3
hs_code
29333999
Toxicity
LD50 i.p. in rats: 272 mg/kg (Goldenthal)

Chemistry & industry

Pharmacology

ATC Code · 2 items

R - Respiratory system

QR - Respiratory system

MeSH Pharmacological Classification · 2 items

A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here.

Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.

Uses & manufacturing

Use ClassificationPharmaceuticals
Applications · 4 items

DescriptionA further Corydalis alkaloid, coramine has been obtained from C. pseudoadunca M. Pop. It forms colourless needles from EtOH and is optically active with a specific rotation of [α]D - 391 ° (c 0.2, MeOH). Both the hydrochloride, m.p. 216-9°C and the hydrobromide, m.p. 223-6°C have been described.

Usesanaleptic

UsesN,N-Diethylnicotinamide (DENC) is commonly used as a ligand to prepare tetranuclear copper complexes.

General DescriptionClear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth.

Upstream & downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
江苏瑞点药业有限公司15896106238 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

Additional notes

DefinitionChEBI: Nikethamide is a pyridinecarboxamide. It is functionally related to a nicotinamide.

Related reactions

2 records

Compound notes

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