CAS No.645-41-0,Triisopentylamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	645-41-0
Name:	Triisopentylamine
Article Data:	21

Formula:	C₁₅H₃₃N
Molecular Weight:	227.434
Synonyms:	Triisopentylamine(6CI,7CI,8CI);Tri(3-methylbutyl)amine;Triisoamylamine;Tris(3-methylbutyl)amine;
EINECS:	211-441-5
Density:	0.799 g/cm³
Melting Point:	-61.15°C (estimate)
Boiling Point:	238 °C at 760 mmHg
Flash Point:	84.1 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 2735 8/PG 3
PSA:	3.24000
LogP:	4.42670

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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