CAS No.869718-81-0,3,6,9,12,15,18,21,24-Octaoxapentacosan-1-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	869718-81-0
Name:	3,6,9,12,15,18,21,24-Octaoxapentacosan-1-amine
Article Data:	4
Cas Database

Formula:	C₁₇H₃₇NO₈
Molecular Weight:	383.483
Synonyms:	2,5,8,11,14,17,20,23-Octaoxapentacosan-25-amine(9CI);
Density:	1.054 g/cm³
Boiling Point:	448 °C at 760 mmHg
Flash Point:	213.9 °C
PSA:	99.86000
LogP:	0.40800

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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 C₁₇H₃₇NO₈and 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