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68453-37-2

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Basic Information
CAS No.: 68453-37-2
Name: METHYL 4-(PIPERIDIN-1-YLMETHYL)BENZOATE
Article Data: 19
Molecular Structure:
Molecular Structure of 68453-37-2 (METHYL 4-(PIPERIDIN-1-YLMETHYL)BENZOATE)
Formula: C14H19NO2
Molecular Weight: 233.31
Synonyms: Methyl 4-(1-Piperidinylmethyl)benzoate
Density: 1.091 g/cm3
Boiling Point: 330.7 °C at 760 mmHg
Flash Point: 118.9 °C
PSA: 29.54000
LogP: 2.39700
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Specification

The Methyl 4-(1-piperidinylmethyl)benzoate, its cas register number is 68453-37-2. The Systematic name about this chemicals is Methyl 4-(piperidin-1-ylmethyl)benzoate. If you want to store this chemical, please keep containers tightly sealed, and store in cool, dry place in tightly closed containers, also ensure good ventilation/exhaustion at the workplace. Follow are some measures about first aid, after inhalation, supply fresh air, if required,provide artificial respiration and keep patient warm. After skin contact, seek immediate medical advice and instantly wash with water, soap and rinse thoroughly.

Following are the chemical properties about Methyl 4-(1-piperidinylmethyl)benzoate: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 29.54Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 67.56 cm3; (7)Molar Volume: 213.7 cm3; (8)Polarizability: 26.78x10-24cm3; (9)Surface Tension: 42.2 dyne/cm; (10)Enthalpy of Vaporization: 57.33 kJ/mol; (11)Vapour Pressure: 0.000164 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: O=C(OC)c1ccc(cc1)CN2CCCCC2
(2)InChI: InChI=1/C14H19NO2/c1-17-14(16)13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3 
(3)InChIKey: VSUPXUIIYYFQDG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H19NO2/c1-17-14(16)13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
(5)Std. InChIKey: VSUPXUIIYYFQDG-UHFFFAOYSA-N