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15583-17-2

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Basic Information
CAS No.: 15583-17-2
Name: 4-Chloropyridine-2-carboxylic acid tert-butyl ester
Molecular Structure:
Molecular Structure of 15583-17-2 (4-Chloropyridine-2-carboxylic acid tert-butyl ester)
Formula: C9H14N2
Molecular Weight: 150.22
Synonyms: N-Methyl-3-(2-pyridyl)propan-1-amine;
Density: 0.955 g/cm3
Boiling Point: 236.02 °C at 760 mmHg
Flash Point: 96.542 °C
PSA: 24.92000
LogP: 1.62450
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Specification

The 2-Pyridinepropanamine, N-methyl- has the CAS registry number 15583-17-2. This chemical's molecular formula is C9H14N2 and molecular weight is 150.22. What's more, its systematic name is N-methyl-3-(2-pyridyl)propan-1-amine.

Physical properties of 2-Pyridinepropanamine, N-methyl- are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 24.92 Å2; (11)Index of Refraction: 1.506; (12)Molar Refractivity: 46.754 cm3; (13)Molar Volume: 157.304 cm3; (14)Polarizability: 18.535×10-24cm3; (15)Surface Tension: 36.087 dyne/cm; (16)Density: 0.955 g/cm3; (17)Flash Point: 96.542 °C; (18)Enthalpy of Vaporization: 47.281 kJ/mol; (19)Boiling Point: 236.02 °C at 760 mmHg; (20)Vapour Pressure: 0.048 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNCCCc1ccccn1
(2)InChI: InChI=1S/C9H14N2/c1-10-7-4-6-9-5-2-3-8-11-9/h2-3,5,8,10H,4,6-7H2,1H3
(3)InChIKey: DJIJZMRJLJLWGR-UHFFFAOYSA-N