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Name |
1-Propanamine,N-(2-phenoxyethyl)- |
EINECS | 259-546-5 |
CAS No. | 55246-89-4 | Density | 0.952 g/cm3 |
PSA | 21.26000 | LogP | 2.45590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H17NO | Boiling Point | 272.3 °C at 760 mmHg |
Molecular Weight | 179.262 | Flash Point | 110.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(2-Phenoxyethyl)propylamine;N-(2-Phenoxyethyl)propan-1-amine; |
The 1-Propanamine,N-(2-phenoxyethyl)-, with the CAS registry number 55246-89-4, is also known as N-(2-Phenoxyethyl)propylamine. Its EINECS number is 259-546-5. The molecular formula of this chemical is C11H17NO and molecular weight is 179.26. What's more, its systematic name is N-(2-Phenoxyethyl)propan-1-amine.
Physical properties of 1-Propanamine,N-(2-phenoxyethyl)- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): 0.57; (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): 6.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 55.05 cm3; (15)Molar Volume: 188.2 cm3; (16)Polarizability: 21.82×10-24 cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.952 g/cm3; (19)Flash Point: 110.1 °C; (20)Enthalpy of Vaporization: 51.05 kJ/mol; (21)Boiling Point: 272.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00614 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCNCCOC1=CC=CC=C1
(2)InChI: InChI=1S/C11H17NO/c1-2-8-12-9-10-13-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
(3)InChIKey: FBRGWNDXBBWEHK-UHFFFAOYSA-N