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| CAS No.: | 51467-70-0 |
|---|---|
| Name: | 2,4,6-Trimethylpyridin-3-amine |
| Molecular Structure: | |
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| Formula: | C8H12N2 |
| Molecular Weight: | 136.197 |
| Synonyms: | Pyridine,3-amino-2,4,6-trimethyl- (6CI,7CI);2,4,6-Trimethyl-3-aminopyridine;3-Amino-2,4,6-trimethylpyridine;NSC 170626; |
| Density: | 1.018 g/cm3 |
| Melting Point: | 66 °C |
| Boiling Point: | 256.4 °C at 760 mmHg |
| Flash Point: | 132.6 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 38.91000 |
| LogP: | 2.17020 |
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Specification
The IUPAC name of 2,4,6-Trimethylpyridin-3-amine is 2,4,6-trimethylpyridin-3-amine. With the CAS registry number 51467-70-0, it is also named as 3-Pyridinamine, 2,4,6-trimethyl-. In addition, its molecular formula is C8H12N2 and molecular weight is 136.19.
The other characteristics of 2,4,6-Trimethylpyridin-3-amine can be summarized as: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.66; (7)ACD/KOC (pH 5.5): 2.59; (8)ACD/KOC (pH 7.4): 75.31; (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: 1.556; (14)Molar Refractivity: 43.05 cm3; (15)Molar Volume: 133.7 cm3; (16)Polarizability: 17.06×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.018 g/cm3; (19)Flash Point: 132.6 °C; (20)Enthalpy of Vaporization: 49.39 kJ/mol; (21)Boiling Point: 256.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0154 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: n1c(cc(c(N)c1C)C)C
(2)InChI: InChI=1/C8H12N2/c1-5-4-6(2)10-7(3)8(5)9/h4H,9H2,1-3H3
(3)InChIKey: MHUDSAALSISURX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H12N2/c1-5-4-6(2)10-7(3)8(5)9/h4H,9H2,1-3H3
(5)Std. InChIKey: MHUDSAALSISURX-UHFFFAOYSA-N