3-Pyridinecarboxylic acid magnesium salt supplier

Name
3-Pyridinecarboxylic acid magnesium salt
EINECS 230-361-1
CAS No. 7069-06-9
Density
Solubility
Melting Point 236.6oC
Formula 2(C₆H₄NO₂)^.Mg
Boiling Point 292.5 °C at 760 mmHg
Molecular Weight 268.51
Flash Point 130.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarboxylicacid, magnesium salt (9CI);Magnesium, bis(nicotinato)- (7CI);Nicotinic acid,magnesium salt (8CI);Magnesium nicotinate;
PSA 78.38000
LogP 1.40540

3-Pyridinecarboxylic acid magnesium salt Specification

The 3-Pyridinecarboxylic acid magnesium salt, with the CAS registry number 7069-06-9 and EINECS registry number 230-361-1, has the systematic name of magnesium dipyridine-3-carboxylate. And the molecular formula of the chemical is 2(C₆H₄NO₂)^.Mg.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -2.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19 Å²; (13)Flash Point: 130.7 °C; (14)Enthalpy of Vaporization: 56.18 kJ/mol; (15)Boiling Point: 292.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000836 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Mg+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c1cccnc1
(2)InChI: InChI=1/2C6H5NO2.Mg/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
(3)InChIKey: LBYCWLBCHNSWFE-NUQVWONBAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mammal (species unspecified)	LD50	intraperitoneal	1400mg/kg (1400mg/kg)	Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.
mammal (species unspecified)	LD50	oral	9gm/kg (9000mg/kg)	Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.
mammal (species unspecified)	LD50	subcutaneous	1500mg/kg (1500mg/kg)	Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.

Product Name

3-Pyridinecarboxylic acid magnesium salt

3-Pyridinecarboxylic acid magnesium salt Specification

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