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19199-06-5

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Basic Information
CAS No.: 19199-06-5
Name: N-(2,6-Dimethylphenyl)azetidine
Molecular Structure:
Molecular Structure of 19199-06-5 (N-(2,6-Dimethylphenyl)azetidine)
Formula: C11H15N
Molecular Weight: 161.2435
Synonyms: Azetidine,1-(2,6-xylyl)- (8CI);N-(2,6-Dimethylphenyl)azetidine;
Density: 1.015 g/cm3
Boiling Point: 250.9 °C at 760 mmHg
Flash Point: 96.4 °C
PSA: 3.24000
LogP: 2.57850
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Specification

The Azetidine,1-(2,6-dimethylphenyl)-, with the CAS registry number 19199-06-5, is also known as N-(2,6-Dimethylphenyl)azetidine and Azetidine,1-(2,6-xylyl)- (8CI). This chemical's molecular formula is C11H15N and molecular weight is 161.2435. What's more, both its IUPAC name and systematic name are the same which is called 1-(2,6-Dimethylphenyl)azetidine.

Physical properties about the Azetidine,1-(2,6-dimethylphenyl)- are: (1) ACD/LogP: 2.77; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.71; (4) ACD/LogD (pH 7.4): 2.26; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 23.34; (7) ACD/KOC (pH 5.5): 6.69; (8) ACD/KOC (pH 7.4): 237.97; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 3.24Å2; (13) Index of Refraction: 1.562; (14) Molar Refractivity: 51.49 cm3; (15) Molar Volume: 158.7 cm3; (16) Polarizability: 20.41×10-24 cm3; (17) Surface Tension: 39.1 dyne/cm; (18) Density: 1.015 g/cm3; (19) Flash Point: 96.4 °C; (20) Enthalpy of Vaporization: 48.82 kJ/mol; (21) Boiling Point: 250.9 °C at 760 mmHg; (22) Vapour Pressure: 0.0211 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(c(c1C)N2CCC2)C
(2) InChI: InChI=1/C11H15N/c1-9-5-3-6-10(2)11(9)12-7-4-8-12/h3,5-6H,4,7-8H2,1-2H3
(3) InChIKey: MHXYJRDWCLHKMY-UHFFFAOYAO