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Pyridine,2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl- (117977-20-5)

Identification
Name:Pyridine,2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-
Synonyms:2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine;2-Chloromethyl-4-(3-methoxypropyloxy)-3-methylpyridine;2-Chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine;
CAS:117977-20-5
Molecular Formula: C11H16ClNO2
Molecular Weight: 229.71
Molecular Structure: (C11H16ClNO2) 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine;2-Chloromethyl-4-(3-methoxypropyloxy)-3-methylp...
Properties
Density:1.112 g/cm3
Appearance:Light yellow liquid
Specification:

The 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridin, with the cas number 117977-20-5, is also called Pyridine,2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-. Its molecular formula is C11H16ClNO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 133; (8)ACD/KOC (pH 7.4): 215; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 61.257 cm3; (15)Molar Volume: 206.512 cm3; (16)Polarizability: 24.284×10-24cm3; (17)Surface Tension: 37.199 dyne/cm; (18)Enthalpy of Vaporization: 54.787 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nccc(OCCCOC)c1C
(2)InChI: InChI=1/C11H16ClNO2/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2/h4-5H,3,6-8H2,1-2H3
(3)InChIKey: XPYNCLYLFSMFQE-UHFFFAOYAK

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