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Triisopentylamine

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Name

Triisopentylamine

EINECS 211-441-5
CAS No. 645-41-0 Density 0.799 g/cm3
PSA 3.24000 LogP 4.42670
Solubility N/A Melting Point -61.15°C (estimate)
Formula C15H33N Boiling Point 238 °C at 760 mmHg
Molecular Weight 227.434 Flash Point 84.1 °C
Transport Information UN 2735 8/PG 3 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 645-41-0 (Triisopentylamine) Hazard Symbols CorrosiveC
Synonyms

Triisopentylamine(6CI,7CI,8CI);Tri(3-methylbutyl)amine;Triisoamylamine;Tris(3-methylbutyl)amine;

Article Data 21

Triisopentylamine Specification

The cas register number of Triisopentylamine is 645-41-0. It also can be called as Triisoamylamine and the IUPAC Name about this chemical is 3-methyl-N,N-bis(3-methylbutyl)butan-1-amine. 

Physical properties about Triisopentylamine are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 14.51; (6)ACD/BCF (pH 7.4): 59.14; (7)ACD/KOC (pH 5.5): 31.41; (8)ACD/KOC (pH 7.4): 128.01; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.441; (13)Molar Refractivity: 75.13 cm3; (14)Molar Volume: 284.5 cm3; (15)Polarizability: 29.78x10-24cm3; (16)Surface Tension: 26.7 dyne/cm; (17)Enthalpy of Vaporization: 47.48 kJ/mol; (18)Vapour Pressure: 0.0436 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical could causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCN(CCC(C)C)CCC(C)C
(2)InChI: InChI=1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
(3)InChIKey: QKVUSSUOYHTOFQ-UHFFFAOYSA-N

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