Diethyl N-(oxomethylidene)-L-glutamate supplier

Name
(S)-(-)-2-ISOCYANATOGLUTARIC ACID DIETHYL ESTER
EINECS
CAS No. 145080-95-1
Article Data4
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅NO₅
Boiling Point 289.346 °C at 760 mmHg
Molecular Weight 229.233
Flash Point 113.998 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Pentanedioicacid, 2-isocyanato-, diethyl ester, (2S)- (9CI);Pentanedioic acid,2-isocyanato-, diethyl ester, (S)-;(2S)-2-Isocyanatoglutaric acid diethylester;
PSA 82.03000
LogP 0.59720

Diethyl N-(oxomethylidene)-L-glutamate Specification

This chemical is called Diethyl N-(oxomethylidene)-L-glutamate, and its CAS registry number is 145080-95-1. With the molecular formula of C₁₀H₁₅NO₅, its molecular weight is 229.23. Additionally, its product categories are Chiral Building Blocks; Isocyanates (Chiral); Synthetic Organic Chemistry. In addition, this chemical should be stored in the refrigerator.

Other characteristics of the Diethyl N-(oxomethylidene)-L-glutamate can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 77; (6)ACD/BCF (pH 7.4): 77; (7)ACD/KOC (pH 5.5): 779; (8)ACD/KOC (pH 7.4): 779; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.03 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 56.648 cm³; (15)Molar Volume: 201.442 cm³; (16)Polarizability: 22.457×10^-24cm³; (17)Surface Tension: 38.11 dyne/cm; (18)Density: 1.138 g/cm³; (19)Flash Point: 113.998 °C; (20)Enthalpy of Vaporization: 52.864 kJ/mol; (21)Boiling Point: 289.346 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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(OCC)CC[C@H](/N=C=O)C(=O)OCC
2.InChI: InChI=1/C10H15NO5/c1-3-15-9(13)6-5-8(11-7-12)10(14)16-4-2/h8H,3-6H2,1-2H3/t8-/m0/s1
3.InChIKey: TZTLQVZEVNEAQD-QMMMGPOBBH

Product Name

(S)-(-)-2-ISOCYANATOGLUTARIC ACID DIETHYL ESTER

Diethyl N-(oxomethylidene)-L-glutamate Specification

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