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| CAS No.: | 1333-41-1 |
|---|---|
| Name: | Methyl propyl carbonate |
| Molecular Structure: | |
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| Formula: | C6H7N |
| Molecular Weight: | 93.1265 |
| Synonyms: | Picoline(8CI);Methylpyridine; |
| EINECS: | 215-588-6 |
| Density: | 0.941 g/cm3 |
| Melting Point: | -70℃ |
| Boiling Point: | 127.5 °C at 760 mmHg |
| Flash Point: | 26.1 °C |
| Solubility: | MISCIBLE |
| Hazard Symbols: | R10:; R20/21/22:; R36/37:; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| PSA: | 35.53000 |
| LogP: | 1.17940 |
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- Total:25 Page 1 of 1 1
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Specification
The Pyridine, methyl-, with CAS registry number 1333-41-1, has the systematic name of 2-methylpyridine. Besides this, it is also called Methylpyridine. And the chemical formula of this chemical is C6H7N.
Physical properties of Pyridine, methyl-: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 1.204; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 4.798; (7)ACD/KOC (pH 5.5): 28.898; (8)ACD/KOC (pH 7.4): 105.888; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 29.169 cm3; (15)Molar Volume: 98.932 cm3; (16)Polarizability: 11.563×10-24cm3; (17)Surface Tension: 34.098 dyne/cm; (18)Density: 0.941 g/cm3; (19)Flash Point: 26.111 °C; (20)Enthalpy of Vaporization: 36.17 kJ/mol; (21)Boiling Point: 127.544 °C at 760 mmHg; (22)Vapour Pressure: 13.468 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccccn1
(2)InChI: InChI=1/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
(3)InChIKey: BSKHPKMHTQYZBB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
(5)Std. InChIKey: BSKHPKMHTQYZBB-UHFFFAOYSA-N