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53370-87-9

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Basic Information
CAS No.: 53370-87-9
Name: ACRYLAMIDO BUFFER
Article Data: 7
Molecular Structure:
Molecular Structure of 53370-87-9 (ACRYLAMIDO BUFFER)
Formula: C7H11NO3
Molecular Weight: 157.169
Synonyms: 4-(Acryloylamino)butanoic acid;4-(Prop-2-enoylamino)butanoic acid;
Density: 1.124 g/cm3
Melting Point: 100-103 °C
Boiling Point: 415.5 °C at 760 mmHg
Flash Point: 205.1 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 66.40000
LogP: 0.54430
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Specification

The Butanoic acid,4-[(1-oxo-2-propen-1-yl)amino]-, with the CAS registry number of 53370-87-9, is also known as 4-(Acryloylamino)butanoic acid. The molecular formula of this chemical is C7H11NO3 and its molecular weight is 157.1671. What's more, its IUPAC name is 4-(Prop-2-enoylamino)butanoic acid.

Physical properties about Butanoic acid,4-[(1-oxo-2-propen-1-yl)amino]- are: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.16; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.475; (12)Molar Refractivity: 39.39 cm3; (13)Molar Volume: 139.7 cm3; (14)Polarizability: 15.61×10-24 cm3; (15)Surface Tension: 41.4 dyne/cm; (16)Density: 1.124 g/cm3; (17)Flash Point: 205.1 °C; (18)Enthalpy of Vaporization: 73.34 kJ/mol; (19)Boiling Point: 415.5 °C at 760 mmHg; (20)Vapour Pressure: 4.56E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCCC(=O)O)\C=C
(2) InChI: InChI=1/C7H11NO3/c1-2-6(9)8-5-3-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
(3) InChIKey: YRXLABUVDQYDHV-UHFFFAOYAM