CAS 6737-24-2 Acetic acid, 2-hydroxy-2-[(1-oxo-2-propen-1-yl)amino]- (HCID 92230)

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Basic information

CAS: 6737-24-2
Standard SMILES: C=CC(=O)NC(O)C(=O)O
InChIKey: NEYTXADIGVEHQD-UHFFFAOYSA-N
Molecular formula: C5H7NO4
Average molar mass: 145.11 g/mol
Monoisotopic mass: 145.0375077

Names & identifiers

Preferred name: Acetic acid, 2-hydroxy-2-[(1-oxo-2-propen-1-yl)amino]-
IUPAC: 2-hydroxy-2-(prop-2-enoylamino)acetic acid
English name: ACRYLAMIDO BUFFER
Molecular formula: C5H7NO4
Molecular weight: 145.11

Names & synonyms

2-Acrylamidoglycolic acidAcrylamidoglycolic acidAcetic acid, hydroxy[(1-oxo-2-propenyl)amino]-EINECS 229-790-7HF 7630Hydroxy((1-oxo-2-propenyl)amino)acetic acidAcetic acid, hydroxy((1-oxo-2-propenyl)amino)-Hydroxy((1-oxoallyl)amino)acetic acidDTXSID00863935Hydroxy[(1-oxoallyl)amino]acetic acidAcetic acid, 2-hydroxy-2-((1-oxo-2-propen-1-yl)amino)-Acetic acid, 2-hydroxy-2-[(1-oxo-2-propen-1-yl)amino]-

Show more names

hf7630ACRYLAMIDO BUFFERacrylamido-glycolicaciACRYLAMIDO GLYCOLIC ACID2-acrylamidoglycolicacidACRYLAMIDO BUFFER PK 3.1NEYTXADIGVEHQD-UHFFFAOYSA-N2-(Acryloylamino)glycolic acidHydroxy(acryloylamino)acetic acidACRYLAMIDOGLYCOLIC ACID 1-HYDRATE

RefChem:552158DTXCID60812505Glycolic acid, acrylamido-(7CI,8CI)229-790-76737-24-22-acrylamido-2-hydroxyacetic acid2-hydroxy-2-(prop-2-enoylamino)acetic acid2-Hydroxy-2-[(1-oxo-2-propen-1-yl)amino]acetic acid

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 86.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 123 · 123-127 °C
Boiling point: 264.2 °C · 264.2°C (rough estimate)
Density: 0.82 g/mL · 0.82 g/mL at 20 °C
refractive index: 20 · n20/D 1.479
Flash point: 22 °C · 22 °C
storage temp.: 2 · 2-8°C
form: solution
pka: 3.09 · 3.09±0.11(Predicted)
EPA Substance Registry System: Acetic acid, hydroxy[(1-oxo-2-propenyl)amino]- (6737-24-2)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi,Xn,C
Risk Statements: 36 · 36/37/38-67-41-10-22-34
Safety Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.