(2-Amino-1,3-thiazol-4-yl)acetic acid

HCID 34665

Notes Reactions

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Basic information

CAS: 29676-71-9
Standard SMILES: Nc1nc(CC(=O)O)cs1
InChIKey: DYCLHZPOADTVKK-UHFFFAOYSA-N
Molecular formula: C5H6N2O2S
Average molar mass: 158.18 g/mol
Monoisotopic mass: 158.01499843

Overview

2-amino-4-thiazole acetic acid is a light orange powder. (NTP, 1992)

Names & identifiers

Preferred name: (2-Amino-1,3-thiazol-4-yl)acetic acid
IUPAC: 2-(2-amino-1,3-thiazol-4-yl)acetic acid

Names & synonyms

(2-Amino-1,3-thiazol-4-yl)acetic acidRefChem:46522529676-71-92-AMINO-4-THIAZOLEACETIC ACID2-(2-Aminothiazol-4-yl)acetic acid2-Aminothiazol-4-acetic acid(2-Aminothiazole-4-yl)acetic acid4-Thiazoleacetic acid, 2-amino-2-(2-amino-1,3-thiazol-4-yl)acetic acid2-Aminothiazole-4-acetic acid(2-Amino-4-thiazolyl)acetic acidMFCD00010068

Show more names

2-amino-4-thiazolylacetic acid2-AMINOTHIAZOL-4-YLACETIC ACIDDTXSID0024509QSH3O4TNJTCHEMBL714602-amino-4-thiazole acetic acid(2-aminothiazol-4-yl)acetic acid(2-amino-thiazol-4-yl)-acetic acid

Database identifiers

CAS: 29676-71-9
PubChem CID: 34665
DTXSID: DTXSID0024509
ChEMBL: CHEMBL71460
UNII: QSH3O4TNJT
EC Number: 249-769-6
Nikkaji: J207.945C

Properties

Computed structural propertiesFilling in

XLogP: 0.1
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 142

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)

Melting Point266 °F (Decomposes) (NTP, 1992)

Physical Description2-amino-4-thiazole acetic acid is a light orange powder. (NTP, 1992)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 3.9% (2 of 51) of reports.

Warning

H315 (96.1%): 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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 4-Thiazoleacetic acid, 2-amino-

Status: Active Update: 15-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22991

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: Exposure to this compound may cause irritation.

Reactive GroupAcids, Carboxylic

Reactivity ProfileAn organosulfide and amine derivative, carboxylic acid. Look at Reactive Groups 20 (organosulfides), 7 (amines), and 3 (carboxylic acids) may give indications about reactive tendencies.

Air and Water ReactionsInsoluble in water.

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)