Butanoic acid,4-[(1-oxo-2-propen-1-yl)amino]- supplier

Name
ACRYLAMIDO BUFFER
EINECS
CAS No. 53370-87-9
Article Data7
CAS DataBase
Density 1.124 g/cm³
Solubility
Melting Point 100-103 °C
Formula C₇H₁₁NO₃
Boiling Point 415.5 °C at 760 mmHg
Molecular Weight 157.169
Flash Point 205.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Acryloylamino)butanoic acid;4-(Prop-2-enoylamino)butanoic acid;
PSA 66.40000
LogP 0.54430

Butanoic acid,4-[(1-oxo-2-propen-1-yl)amino]- 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

Product Name

ACRYLAMIDO BUFFER

Butanoic acid,4-[(1-oxo-2-propen-1-yl)amino]- Specification

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