CAS No.59-26-7,N,N-DIETHYLNICOTINAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	59-26-7
Name:	N,N-DIETHYLNICOTINAMIDE
Article Data:	47

Formula:	C10H14 N2 O
Molecular Weight:	178.234
Synonyms:	Nicotinamide,N,N-diethyl- (8CI);3-(N,N-Diethylcarbamoyl)pyridine;Anacardone;Anacordone;Astrocar;Canfodiamina;Carbamidal;Cardamine;Cardiamid;Cardiamide;Cardiamine;Cardimon;Coracon;Coractiv N;Coramine;Coramine (pharmaceutical);Cordiamin;Cordiamine;Corediol;Cormed;Cormid;Cormotyl;Cornotone;Corvin;Corvitol;Corvotone;Diethylnicotinamide;Dynacoryl;Ecoran;Eucoran;Kordiamin;N,N-Diethyl-3-pyridinecarboxamide;N,N-Diethylnicotinamide;NSC130820;NSC 169863;NSC 62103;Ni-Cor;Niamine;Nicamide;Nicetamide;Nicethamide;Nicorine;Nicotinic acid diethylamide;Nikardin;Niketamide;Niketamine;Nikethamide;Niketharol;Nikethyl;Nikorin;Niquetamide;Percoral;Pyricardyl;Pyridine-3-carboxydiethylamide;Pyridine-3-carboxylic aciddiethylamide;Reformin;Rehormin;Salvacard;Sancora;Solyacord;Stimulin;Ventramine;
EINECS:	200-418-5
Density:	1.06
Melting Point:	24-26
Boiling Point:	296-300
Flash Point:	141.1°C
Solubility:	>=10g/100mLat23C
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	T
Risk Codes:	R23/24/25;
Safety:	Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	33.20000
LogP:	1.56360

Synthetic route

: 626-55-1
3-Bromopyridine

: 201230-82-2
carbon monoxide

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With potassium carbonate; bis[2-(diphenylphosphino)phenyl] ether In toluene at 105℃; under 3000.3 Torr; for 12h;	92%
With (1,3,5-triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate; palladium diacetate; triethylamine In N,N-dimethyl-formamide at 20 - 60℃; under 2068.65 Torr; for 24h; Inert atmosphere; Autoclave; chemoselective reaction;	92%
With palladium diacetate; sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 100℃; for 16h; Sealed tube;	75%

...Expand

: 59-67-6
nicotinic acid

: 617-84-5
N-formyldiethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With hydrogenchloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In 1,4-dioxane at 120℃; for 33h;	92%

: 20165-96-2
3-(N,N-diethylcarbamoyl)pyridine 1-oxide

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With (4,4′-di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) hexafluorophosphate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 2.5h; Inert atmosphere; Irradiation; chemoselective reaction;	92%

: 59-67-6
nicotinic acid

: 2283-11-6
hexaethylphosphoric triamide

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
at 210℃; for 1h;	88%

: 93-60-7
methyl 3-pyridinecarboxylate

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
Stage #1: diethylamine With n-butyllithium In tetrahydrofuran at -78 - 0℃; for 0.833333h; Stage #2: methyl 3-pyridinecarboxylate In tetrahydrofuran at -78 - 20℃; for 2h;	84%
potassium tert-butylate at 285℃; under 22502.3 Torr; for 0.0116667h; autoclave; Industry scale; Microwave irradiation;

: 626-55-1
3-Bromopyridine

: 67-66-3
chloroform

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With cesiumhydroxide monohydrate; palladium diacetate; bis[2-(diphenylphosphino)phenyl] ether In toluene at 80℃; for 24h; Glovebox; Inert atmosphere; Sealed tube;	79%

...Expand

: 59-67-6
nicotinic acid

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
Stage #1: nicotinic acid With niobium pentachloride In 1,4-dioxane Stage #2: diethylamine In 1,4-dioxane at 45 - 50℃; for 12h;	73%
With phosphorus pentoxide
With phosphorus pentoxide; benzene
With trichlorophosphate
With N,N'-ethylenethiourea; bis(trichloromethyl) carbonate at 70℃; for 1h; Temperature; Reagent/catalyst; Green chemistry;

: 59-67-6
nicotinic acid

: 660-68-4
diethyl amine hydrochloride

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With triethylamine at 20℃; for 0.0166667h;	72%
With silica gel; triethylamine; p-toluenesulfonyl chloride at 20℃; for 0.0166667h;	70%
With phosphorus pentachloride

: 201230-82-2
carbon monoxide

: 1692-25-7
3-pyridylboronic acid

: 121-44-8
triethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With copper(l) iodide; oxygen; palladium dichloride In acetonitrile at 100℃; under 1520.1 Torr; for 12h; Autoclave; High pressure;	62%

...Expand

: 6972-69-6
N,N-dimethylnicotinamide

: 816-43-3
lithium diethylamide

A: 77924-13-1
N,N-Dimethyl-4-(pyridine-3-carbonyl)-nicotinamide

B: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
In diethyl ether for 5h; Ambient temperature;	A 6% B 60%

...Expand

Raw Materials

699-98-9

2283-11-6

6972-69-6

109-89-7

201230-82-2

124-40-3

816-43-3

626-55-1

Downstream Products

350-03-8

500-22-1

100-55-0

Total:143 Page 1 of 4 1 2 3 4 Next>>

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Specification

The N,N-Diethylnicotinamide, with the CAS registry number 59-26-7, is also known as 3-Pyridinecarboxamide,N,N-diethyl-;Nikethamide. It belongs to the product categories of Nitrogen cyclic compounds;Heterocyclic Compounds.This chemical's molecular formula is C₁₀H₁₄N₂O and molecular weight is 178.23 .Its EINECS number is 200-418-5. What's more,Its systematic name is N,N-Diethylnicotinamide.It is Clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth. N,N-Diethylnicotinamide was used in the mid-1900s as a medical countermeasure against tranquilizer overdoses, before the advent of endotracheal intubation and positive-pressure lung expansion.It is a central nervous system stimulant. It was formerly used in the treatment of barbiturate overdose but is now considered to be of no value for such purposes and may be dangerous.

Physical properties about N,N-Diethylnicotinamide are:
(1)ACD/LogP: 0.923; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.93; (6)ACD/BCF (pH 7.4): 2.96; (7)ACD/KOC (pH 5.5): 74.85; (8)ACD/KOC (pH 7.4): 75.72; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 51.992 cm³; (14)Molar Volume: 170.961 cm³; (15)Surface Tension: 40.6370010375977 dyne/cm; (16)Density: 1.043 g/cm³ ; (17)Flash Point: 141.13 °C; (18)Enthalpy of Vaporization: 53.789 kJ/mol; (19)Boiling Point: 297.999 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C;

Safety Information of N,N-Diethylnicotinamide:
The N,N-Diethylnicotinamide is toxic by inhalation, in contact with skin and if swallowed .It is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(N(CC)CC)c1cccnc1;
(2)Std. InChI:InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3;
(3)Std. InChIKey:NCYVXEGFNDZQCU-UHFFFAOYSA-N.

The toxicity data of N,N-Diethylnicotinamide as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	174mg/kg (174mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 128, Pg. 176, 1960.
mouse	LD50	intravenous	180mg/kg (180mg/kg)		Schweizerische Medizinische Wochenschrift. Vol. 85, Pg. 305, 1955.
mouse	LD50	oral	188mg/kg (188mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT BEHAVIORAL: REGIDITY	Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 1, Pg. 423, 1964.
mouse	LD50	subcutaneous	200mg/kg (200mg/kg)		Bollettino Chimico Farmaceutico. Vol. 111, Pg. 293, 1972.
mouse	LD50	unreported	288mg/kg (288mg/kg)		Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 2S, 1957.
rabbit	LDLo	intravenous	150mg/kg (150mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 66, Pg. 260, 1939.
rabbit	LDLo	subcutaneous	300mg/kg (300mg/kg)		Klinische Wochenscrift. Vol. 12, Pg. 1860, 1933.
rat	LD50	intraperitoneal	272mg/kg (272mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Proceedings of the European Society for the Study of Drug Toxicity. Vol. 4, Pg. 132, 1964.
rat	LD50	intravenous	191mg/kg (191mg/kg)		"Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 173, 1973.
rat	LD50	subcutaneous	240mg/kg (240mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Proceedings of the Society for Experimental Biology and Medicine. Vol. 62, Pg. 19, 1946.