-
Name
3,6,9,12,15,18,21,24-Octaoxapentacosan-1-amine
- EINECS
- CAS No. 869718-81-0
- Article Data4
- CAS DataBase
- Density 1.054 g/cm3
- Solubility
- Melting Point
- Formula C17H37NO8
- Boiling Point 448 °C at 760 mmHg
- Molecular Weight 383.483
- Flash Point 213.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,5,8,11,14,17,20,23-Octaoxapentacosan-25-amine(9CI);
- PSA 99.86000
- LogP 0.40800
3,6,9,12,15,18,21,24-Octaoxapentacosan-1-amine Specification
The systematic name of 3,6,9,12,15,18,21,24-Octaoxapentacosan-1-amine is 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine. With the CAS registry number 869718-81-0, it is also named as 2,5,8,11,14,17,20,23-Octaoxapentacosan-25-amine(9CI). In addition, its molecular formula is C17H37NO8 and molecular weight is 383.48.
The other characteristics of 3,6,9,12,15,18,21,24-Octaoxapentacosan-1-amine can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 9; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 24; (5)Polar Surface Area: 99.86 Å2; (6)Index of Refraction: 1.452; (7)Molar Refractivity: 98.3 cm3; (8)Molar Volume: 363.7 cm3; (9)Polarizability: 38.97×10-24cm3; (10)Surface Tension: 36.6 dyne/cm; (11)Density: 1.054 g/cm3; (12)Flash Point: 213.9 °C; (13)Enthalpy of Vaporization: 70.64 kJ/mol; (14)Boiling Point: 448 °C at 760 mmHg; (15)Vapour Pressure: 3.22E-08 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: NCCOCCOCCOCCOCCOCCOCCOCCOC
(2)InChI: InChI=1/C17H37NO8/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h2-18H2,1H3
(3)InChIKey: YXWBFPPGROXJLL-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C17H37NO8/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h2-18H2,1H3
(5)Std. InChIKey: YXWBFPPGROXJLL-UHFFFAOYSA-N
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