-
Name
3,6,9,12-tetraoxatridecylamine
- EINECS 285-182-1
- CAS No. 85030-56-4
- Article Data12
- CAS DataBase
- Density 1.005 g/cm3
- Solubility
- Melting Point
- Formula C9H21NO4
- Boiling Point 276.701 °C at 760 mmHg
- Molecular Weight 207.27
- Flash Point 116.182 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,5,8,11-Tetraoxatridecan-13-amine(9CI);2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethylamine;3,6,9,12-Tetraoxatridecylamine;Triethylene glycol 2-aminoethyl methyl ether;
- PSA 62.94000
- LogP 0.34160
3,6,9,12-Tetraoxatridecylamine Specification
The 3,6,9,12-Tetraoxatridecylamine is an organic compound with the formula C9H21NO4. The IUPAC name of this chemical is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine. With the CAS registry number 85030-56-4, it is also named as 2,5,8,11-tetraoxatridecan-13-amine. Additionally, it is liquid which is used to modify peptides and proteins with PEG on the C-termin.
The other characteristics of 3,6,9,12-Tetraoxatridecylamine can be summarized as: (1)ACD/LogP: -1.29; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 12; (10)Index of Refraction: 1.439; (11)Molar Refractivity: 54.261 cm3; (12)Molar Volume: 206.223 cm3; (13)Polarizability: 21.511×10-24 cm3; (14)Surface Tension: 33.985 dyne/cm; (15)Enthalpy of Vaporization: 51.522 kJ/mol; (16)Vapour Pressure: 0.005 mmHg at 25°C; (17)Rotatable Bond Count: 11; (18)Exact Mass: 207.147058; (19)MonoIsotopic Mass: 207.147058; (20)Topological Polar Surface Area: 62.9; (21)Heavy Atom Count: 14; (22)Complexity: 103.
People can use the following data to convert to the molecule structure.
1. SMILES:COCCOCCOCCOCCN
2. InChI:InChI=1/C9H21NO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-10H2,1H3
3. InChIKey:DQTQYVYXIOQYGN-UHFFFAOYAS
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