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3-Methyl-4-aminopyridine

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Name

3-Methyl-4-aminopyridine

EINECS 217-872-5
CAS No. 1990-90-5 Density 1.068 g/cm3
PSA 38.91000 LogP 1.55340
Solubility N/A Melting Point 106-107 °C
Formula C6H8N2 Boiling Point 265.4 °C at 760 mmHg
Molecular Weight 108.143 Flash Point 138.4 °C
Transport Information UN 2811 Appearance N/A
Safety 22-36/37/39-45-36-27-26 Risk Codes 23/24/25-36/37/38-34
Molecular Structure Molecular Structure of 1990-90-5 (3-Methyl-4-aminopyridine) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

4-Amino-3-methylpyridine;4-Amino-3-picoline;5-22-09-00286 (Beilstein Handbook Reference);BRN 0107957;NSC 52454;Philips 1908;

Article Data 19

3-Methyl-4-aminopyridine Specification

The 4-Amino-3-methylpyridine, with the CAS registry number 1990-90-5 and EINECS registry number 217-872-5, has the systematic name of 3-methylpyridin-4-amine. It belongs to the following product categories: Variousamine; Pyridine; Amines; Pyridines derivates. And the molecular formula of this chemical is C6H8N2.

The physical properties of 4-Amino-3-methylpyridine are as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -1.23; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 33.4 cm3; (15)Molar Volume: 101.2 cm3; (16)Polarizability: 13.24×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 138.4 °C; (20)Enthalpy of Vaporization: 50.33 kJ/mol; (21)Boiling Point: 265.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00918 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust, and wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(N)c(c1)C
(2)InChI: InChI=1/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)
(3)InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYAO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 2400ug/kg (2.4mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LD50 oral 446mg/kg (446mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
 

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