Pentanedioic acid,2-cyano-, 1,5-diethyl ester supplier

Name
2-Cyano-pentanedioic acid diethyl ester
EINECS
CAS No. 7251-97-0
Article Data17
CAS DataBase
Density 1.097 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅NO₄
Boiling Point 316.9 °C at 760 mmHg
Molecular Weight 213.233
Flash Point 137.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentanedioicacid, 2-cyano-, diethyl ester (9CI);1-Cyano-1,3-propanedicarboxylic aciddiethyl ester;NSC 15768;Diethyl 2-cyanopentanedioate;2-Cyano-pentanedioic acid diethyl ester;
PSA 76.39000
LogP 1.03258

Pentanedioic acid,2-cyano-, 1,5-diethyl ester Specification

The Pentanedioic acid,2-cyano-, 1,5-diethyl ester, with the CAS registry number 7251-97-0, is also known as 2-Cyano-pentanedioic acid diethyl ester. This chemical's molecular formula is C₁₀H₁₅NO₄ and molecular weight is 213.23. What's more, its systematic name is Diethyl 2-cyanopentanedioate.

Physical properties of Pentanedioic acid,2-cyano-, 1,5-diethyl ester are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 76.39 Å²; (7)Index of Refraction: 1.445; (8)Molar Refractivity: 51.79 cm³; (9)Molar Volume: 194.3 cm³; (10)Polarizability: 20.53×10^-24cm³; (11)Surface Tension: 38.8 dyne/cm; (12)Density: 1.097 g/cm³; (13)Flash Point: 137.7 °C; (14)Enthalpy of Vaporization: 55.83 kJ/mol; (15)Boiling Point: 316.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000398 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(C(=O)OCC)CCC(=O)OCC
(2)InChI: InChI=1/C10H15NO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
(3)InChIKey: CFYXWCUNWACGLA-UHFFFAOYSA-N

Product Name

2-Cyano-pentanedioic acid diethyl ester

Pentanedioic acid,2-cyano-, 1,5-diethyl ester Specification

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