CAS No.79455-30-4,Nicaraven Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79455-30-4
Name:	Nicaraven
Article Data:	4

Formula:	C₁₅H₁₆N₄O₂
Molecular Weight:	284.318
Synonyms:	1,2-Bis(nicotinamido)propane;AVS;Antevas;Nicaraven;
EINECS:	1806241-263-5
Density:	1.213 g/cm³
Melting Point:	156-157°
Boiling Point:	635.9 °C at 760 mmHg
Flash Point:	338.4 °C
PSA:	83.98000
LogP:	1.80670

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Specification

The Nicaraven is an organic compound with the formula C₁₅H₁₆N₄O₂. The IUPAC name of this chemical is N-[2-(pyridine-3-carbonylamino)propyl]pyridine-3-carboxamide. With the CAS registry number 79455-30-4, it is also named as 3-Pyridinecarboxamide, N,N'-(1-methyl-1,2-ethanediyl)bis-. The product's classification codes are Antioxidants; Drug / Therapeutic Agent; Protective Agents; Reproductive Effect.

Physical properties about Nicaraven are: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.25; (5)ACD/BCF (pH 7.4): 1.27; (6)ACD/KOC (pH 5.5): 40.68; (7)ACD/KOC (pH 7.4): 41.27; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 66.4 Å²; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 78.47 cm³; (14)Molar Volume: 234.3 cm³; (15)Polarizability: 31.11×10^-24cm³; (16)Surface Tension: 53.6 dyne/cm; (17)Density: 1.213 g/cm³; (18)Flash Point: 338.4 °C; (19)Enthalpy of Vaporization: 93.96 kJ/mol; (20)Boiling Point: 635.9 °C at 760 mmHg; (21)Vapour Pressure: 4.53E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C)CNC(=O)c1cccnc1)c2cccnc2
(2)InChI: InChI=1/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)
(3)InChIKey: KTXBOOWDLPUROC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)
(5)Std. InChIKey: KTXBOOWDLPUROC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intravenous	1500mg/kg (1500mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 23(Suppl,
mouse	LD	unreported	> 1gm/kg (1000mg/kg)		European Patent Application. Vol. #0029602,
mouse	LD50	intravenous	590mg/kg (590mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 23(Suppl,
rat	LD50	intravenous	840mg/kg (840mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 23(Suppl,