-
Name
METHYL 4-(PIPERIDIN-1-YLMETHYL)BENZOATE
- EINECS
- CAS No. 68453-37-2
- Article Data19
- CAS DataBase
- Density 1.091 g/cm3
- Solubility
- Melting Point
- Formula C14H19NO2
- Boiling Point 330.7 °C at 760 mmHg
- Molecular Weight 233.31
- Flash Point 118.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methyl 4-(1-Piperidinylmethyl)benzoate
- PSA 29.54000
- LogP 2.39700
Methyl 4-(1-piperidinylmethyl)benzoate 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
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