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17414-45-8

Basic Information
CAS No.: 17414-45-8
Name: 2-methylpyridin-1(2H)-amine
Molecular Structure:
Molecular Structure of 17414-45-8 (2-methylpyridin-1(2H)-amine)
Formula: C6H10N2
Molecular Weight: 110.16
Synonyms: 2-Methylpyridin-1-ium-1-amine bromide;2-Methylpyridin-1(2H)-amine;
Density: 0.986 g/cm3
Boiling Point: 200.5 °C at 760 mmHg
Flash Point: 98.2 °C
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Specification

The 2-Methyl-2H-pyridin-1-amine, with the CAS registry number 17414-45-8, is also known as 2-Methylpyridin-1(2H)-amine. This chemical's molecular formula is C6H10N2 and molecular weight is 110.16. What's more, its IUPAC name is 2-Methylpyridin-1-ium-1-amine bromide.

Physical properties of 2-Methyl-2H-pyridin-1-amine are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.522; (8)Molar Refractivity: 34.09 cm3; (9)Molar Volume: 111.6 cm3; (10)Polarizability: 13.51×10-24 cm3; (11)Surface Tension: 34.1 dyne/cm; (12)Density: 0.986 g/cm3; (13)Flash Point: 98.2 °C; (14)Enthalpy of Vaporization: 43.67 kJ/mol; (15)Boiling Point: 200.5 °C at 760 mmHg; (16)Vapour Pressure: 0.324 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=[N+]1N.[Br-]
(2)InChI: InChI=1S/C6H9N2.BrH/c1-6-4-2-3-5-8(6)7;/h2-5H,7H2,1H3;1H/q+1;/p-1
(3)InChIKey: ROEAPAQVHSBDLC-UHFFFAOYSA-M