Basic information
- Name:
Phenol,3-(1-piperidinylmethyl)-
- Superlist Name:
- 3-(1-Piperidinylmethyl)phenol
- CAS No.:
73279-04-6
- Molecular Structure:
- Formula:
- C12H17NO
- Molecular Weight:
- 191.27
- Synonyms:
- m-Cresol, a-piperidino- (6CI);3-(1-Piperidinylmethyl)phenol;3-(Piperidinomethyl)phenol;AH 25227;N-(3-Hydroxyphenylmethyl)piperidine;m-(Piperidinomethyl)phenol;a-Piperidino-m-cresol;
- Density:
- 1.097 g/cm3
- Melting Point:
- 137-138 °C
- Boiling Point:
- 308.1 °C at 760 mmHg
- Flash Point:
- 145.7 °C
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Specification
The 3-(1-Piperidinylmethyl)phenol, with the CAS registry number 73279-04-6, is also known as 1-(3-Hydroxyphenylmethyl)piperidine. It belongs to the product category of (intermediate of roxatidine). This chemical's molecular formula is C12H17NO and molecular weight is 191.2695. Its systematic name is called 3-(piperidin-1-ylmethyl)phenol. This chemical should be stored in sealed containers and placed in a cool, dry place and stored away from oxidizing agents
Physical properties of 3-(1-Piperidinylmethyl)phenol: (1)ACD/LogP: 2.02; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.576; (6)Molar Refractivity: 57.67 cm3; (7)Molar Volume: 174.2 cm3; (8)Surface Tension: 46.9 dyne/cm; (9)Density: 1.097 g/cm3; (10)Flash Point: 145.7 °C; (11)Enthalpy of Vaporization: 57.07 kJ/mol; (12)Boiling Point: 308.1 °C at 760 mmHg; (13)Vapour Pressure: 0.000381 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1)CN2CCCCC2
(2)InChI: InChI=1/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2
(3)InChIKey: ORGBERFQYFWYGX-UHFFFAOYAL
