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| CAS No.: | 73278-98-5 |
|---|---|
| Name: | N-[3-[3-(1-Piperidinylmethyl)phenoxy]propyl]amine |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C15H24N2O |
| Molecular Weight: | 248.368 |
| Synonyms: | 3-(3-Piperidinylmethylphenoxy)propylamine;3-[3-(1-Piperidinylmethyl)phenoxy]propylamine;3-[3-(Piperidinomethyl)phenoxy]propylamine;3-[3-[(Piperidin-1-yl)methyl]phenoxy]propan-1-amine; |
| Density: | 1.05 g/cm3 |
| Melting Point: | 70-76 °C |
| Boiling Point: | 375.765 °C at 760 mmHg |
| Flash Point: | 181.056 °C |
| PSA: | 38.49000 |
| LogP: | 3.03830 |
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Specification
The N-[3-[3-(1-Piperidinylmethyl)phenoxy]propyl]amine, with the CAS registry number 73278-98-5, is also known as 3-[3-Piperidine methyl phenate] propylamine. It belongs to the product category of Roxatidine. This chemical's molecular formula is C15H24N2O and molecular weight is 248.36. Its systematic name is called 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine. This chemical can be used as intermediates of roxatidine.
Physical properties of N-[3-[3-(1-Piperidinylmethyl)phenoxy]propyl]amine: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 75.271 cm3; (14)Molar Volume: 236.511 cm3; (15)Surface Tension: 44.071 dyne/cm; (16)Density: 1.05 g/cm3; (17)Flash Point: 181.056 °C; (18)Enthalpy of Vaporization: 62.332 kJ/mol; (19)Boiling Point: 375.765 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1)CN2CCCCC2)CCCN
(2)InChI: InChI=1/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2
(3)InChIKey: VQSXCZMVUMSITD-UHFFFAOYAV