Propanedioic acid,2-(acetylamino)-2-pentyl-, 1,3-diethyl ester supplier

Name
diethyl 2-acetamido-2-pentyl-propanedioate
EINECS
CAS No. 5440-46-0
Article Data4
CAS DataBase
Density 1.054 g/cm³
Solubility
Melting Point 43-45 °C
Formula C₁₄H₂₅NO₅
Boiling Point 384.4 °C at 760 mmHg
Molecular Weight 287.356
Flash Point 186.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonicacid, acetamidopentyl-, diethyl ester (6CI);Propanedioic acid,(acetylamino)pentyl-, diethyl ester (9CI);NSC 20170;Diethyl 2-acetamido-2-pentyl-propanedioate;Diethyl (acetylamino)(pentyl)propanedioate;
PSA 81.70000
LogP 1.95870

Propanedioic acid,2-(acetylamino)-2-pentyl-, 1,3-diethyl ester Specification

The Propanedioic acid,2-(acetylamino)-2-pentyl-, 1,3-diethyl ester, with the CAS registry number 5440-46-0, is also known as Diethyl 2-acetamido-2-pentyl-propanedioate. This chemical's molecular formula is C₁₄H₂₅NO₅ and molecular weight is 287.35. What's more, its systematic name is Diethyl (acetylamino)(pentyl)propanedioate.

Physical properties of Propanedioic acid,2-(acetylamino)-2-pentyl-, 1,3-diethyl ester are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 72.91 Å²; (7)Index of Refraction: 1.455; (8)Molar Refractivity: 74.04 cm³; (9)Molar Volume: 272.5 cm³; (10)Polarizability: 29.35×10^-24cm³; (11)Surface Tension: 35.7 dyne/cm; (12)Density: 1.054 g/cm³; (13)Flash Point: 186.3 °C; (14)Enthalpy of Vaporization: 63.31 kJ/mol; (15)Boiling Point: 384.4 °C at 760 mmHg; (16)Vapour Pressure: 4.09E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)OCC)(C(=O)OCC)CCCCC)C
(2)InChI: InChI=1S/C14H25NO5/c1-5-8-9-10-14(15-11(4)16,12(17)19-6-2)13(18)20-7-3/h5-10H2,1-4H3,(H,15,16)
(3)InChIKey: OJVZASWEPKHPDA-UHFFFAOYSA-N

Product Name

diethyl 2-acetamido-2-pentyl-propanedioate

Propanedioic acid,2-(acetylamino)-2-pentyl-, 1,3-diethyl ester Specification

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