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| CAS No.: | 6903-18-0 |
|---|---|
| Name: | 3-(2-Phenoxy)Ethoxyl Propylamine |
| Molecular Structure: | |
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| Formula: | C11H17NO2 |
| Molecular Weight: | 195.25818 |
| Synonyms: | 3-(2-Phenoxy)ethoxyl propylamine;3-(2-Phenoxyethoxy)propan-1-amine; |
| EINECS: | 427-870-8 |
| Density: | 1.03 g/cm3 |
| Boiling Point: | 312.2 °C at 760 mmHg |
| Flash Point: | 155.7 °C |
| PSA: | 44.48000 |
| LogP: | 2.13110 |
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Specification
The 1-Propanamine,3-(2-phenoxyethoxy)-, with the CAS registry number 6903-18-0, is also known as 3-(2-Phenoxy)ethoxyl propylamine and 3-(2-Phenoxyethoxy)propan-1-amine. This chemical's molecular formula is C11H17NO2 and molecular weight is 195.25818. What's more, its IUPAC name is called Heptyl 4-methylbenzenesulfonate.
Physical properties about 1-Propanamine,3-(2-phenoxyethoxy)- are: (1)ACD/LogP: 1.44; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 44.48 Å2; (11)Index of Refraction: 1.51; (12)Molar Refractivity: 56.74 cm3; (13)Molar Volume: 189.5 cm3; (14)Surface Tension: 38.4 dyne/cm; (15)Density: 1.03 g/cm3; (16)Flash Point: 155.7 °C; (17)Enthalpy of Vaporization: 55.32 kJ/mol; (18)Boiling Point: 312.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000537 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: NCCCOCCOc1ccccc1
(2) InChI: InChI=1/C11H17NO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2
(3) InChIKey: WQFCFMPMUNOOTQ-UHFFFAOYAQ