Butanoic acid,4-amino-4-oxo-, methyl ester supplier

Name
METHYL SUCCINAMATE
EINECS
CAS No. 53171-39-4
Article Data11
CAS DataBase
Density 1.136 g/cm³
Solubility
Melting Point 89 °C
Formula C₅H₉NO₃
Boiling Point 297.6 °C at 760 mmHg
Molecular Weight 131.131
Flash Point 179.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl succinamate;
PSA 70.38000
LogP 0.57460

Butanoic acid,4-amino-4-oxo-, methyl ester Specification

The Butanoic acid,4-amino-4-oxo-, methyl ester, with the CAS registry number 53171-39-4, is also known as Methyl succinamate. This chemical's molecular formula is C₅H₉NO₃ and molecular weight is 131.1299. What's more, its systematic name is called Methyl 4-amino-4-oxobutanoate.

Physical properties about Butanoic acid,4-amino-4-oxo-, methyl ester are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.82; (5)ACD/KOC (pH 7.4): 7.82; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 69.39Å²; (10)Index of Refraction: 1.442; (11)Molar Refractivity: 30.55 cm³; (12)Molar Volume: 115.3 cm³; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 1.136 g/cm³; (15)Flash Point: 179.5 °C; (16)Enthalpy of Vaporization: 53.74 kJ/mol; (17)Boiling Point: 297.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00134 mmHg at 25 °C; (19)Melting Point: 89 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NC(=O)CCC(=O)OC
(2) InChI: InChI=1/C5H9NO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H2,6,7)
(3) InChIKey: HURZMSZDVGMYKJ-UHFFFAOYAQ

Product Name

METHYL SUCCINAMATE

Butanoic acid,4-amino-4-oxo-, methyl ester Specification

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