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CAS No.: | 1990-90-5 |
---|---|
Name: | 3-Methyl-4-aminopyridine |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C6H8N2 |
Molecular Weight: | 108.143 |
Synonyms: | 4-Amino-3-methylpyridine;4-Amino-3-picoline;5-22-09-00286 (Beilstein Handbook Reference);BRN 0107957;NSC 52454;Philips 1908; |
EINECS: | 217-872-5 |
Density: | 1.068 g/cm3 |
Melting Point: | 106-107 °C |
Boiling Point: | 265.4 °C at 760 mmHg |
Flash Point: | 138.4 °C |
Hazard Symbols: | C,Xi |
Risk Codes: | 23/24/25-36/37/38-34 |
Safety: | 22-36/37/39-45-36-27-26 |
Transport Information: | UN 2811 |
PSA: | 38.91000 |
LogP: | 1.55340 |
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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. |