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Ethyl Ester L-Lysine Triisocyanate

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Name Ethyl Ester L-Lysine Triisocyanate EINECS 274-179-0
CAS No. 69878-18-8 Density 1.21 g/cm3
Solubility Melting Point
Formula C11H13N3O5 Boiling Point 382.9 °C at 760 mmHg
Molecular Weight 267.24 Flash Point 168.1 °C
Transport Information Appearance
Safety 23-26-36 Risk Codes 20/22
Molecular Structure Molecular Structure of 69878-18-8 (Ethyl Ester L-Lysine Triisocyanate) Hazard Symbols
Synonyms

Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester;2,6-Diisocyanatocaproic acid b-isocyanatoethyl ester;2-Isocyanatoethyl 2,6-diisocyanatocaproate;2-Isocyanatoethyl2,6-diisocyanatohexanoate;Lysine triisocyanate;97042-86-9;

 

Specification

The CAS register number of Ethyl Ester L-Lysine Triisocyanate is 69878-18-8. It also can be called as 2,6-Diisocyanatohexanoic acid, 2-isocyanatoethyl ester and the IUPAC name about this chemical is 2-isocyanatoethyl 2,6-diisocyanatohexanoate. The molecular formula about this chemical is C11H13N3O5 and the molecular weight is 267.24.

Physical properties about Ethyl Ester L-Lysine Triisocyanate are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 3.34; (4)ACD/BCF (pH 5.5): 202.03; (5)ACD/BCF (pH 7.4): 202.03; (6)ACD/KOC (pH 5.5): 1555.36; (7)ACD/KOC (pH 7.4): 1555.36; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 114.59Å2; (11)Index of Refraction: 1.524; (12)Molar Refractivity: 67.2 cm3; (13)Molar Volume: 219.5 cm3; (14)Polarizability: 26.64x10-24cm3; (15)Surface Tension: 48.7 dyne/cm; (16)Enthalpy of Vaporization: 63.13 kJ/mol; (17)Boiling Point: 382.9 °C at 760 mmHg; (18)Vapour Pressure: 4.58E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. When you are using it, please wear suitable protective clothing and do not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N/CCOC(=O)C(/N=C=O)CCCC/N=C=O
(2)InChI: InChI=1/C11H13N3O5/c15-7-12-4-2-1-3-10(14-9-17)11(18)19-6-5-13-8-16/h10H,1-6H2
(3)InChIKey: GNDOBZLRZOCGAS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H13N3O5/c15-7-12-4-2-1-3-10(14-9-17)11(18)19-6-5-13-8-16/h10H,1-6H2
(5)Std. InChIKey: GNDOBZLRZOCGAS-UHFFFAOYSA-N

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