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

HCID 13017673
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Basic information

CAS
66659-20-9
Standard SMILES
Cl.Nc1nc(CC(=O)O)cs1
InChIKey
ZEWJJZKVQOMYKJ-UHFFFAOYSA-N
Molecular formula
C5H7ClN2O2S
Average molar mass
194.64 g/mol
Monoisotopic mass
193.9916763

Names & identifiers

Preferred name
(2-Amino-1,3-thiazol-4-yl)acetic acid--hydrogen chloride (1/1)
IUPAC
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
English name
2-(2-Aminothiazol-4-yl) acetic acid hydrochloride
Molecular formula
C5H7ClN2O2S
Molecular weight
194.63

Names & synonyms

66659-20-9DTXSID00515306(2-Amino-1,3-thiazol-4-yl)acetic acid--hydrogen chloride (1/1)RefChem:205705DTXCID104661132-(2-Aminothiazol-4-yl)acetic acid hydrochloride2-(2-Aminothiazol-4-yl) acetic acid hydrochloride2-(2-Aminothiazol-4-yl)acetic acid HClMFCD066589432-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride2-(2-Aminothiazol-4-yl) acetic acid, HClSY026556
Show more names
ATAHATA HYDROCHLORIDEMirabegron Impurity 40Mirabegron Impurity 4 HCl2-Amino-4-thiazole aceticacid HClMirabegron Impurity 15(Hydrochloride)Aminothiazole acetic acid hydrochloride2-Aminothiazol-4-acetic acid Hydrochloride
2-(2-Amino-4-thiazolyl)acetic Acid HCl2-aminothiazol-4-ylacetic acid hydrochloride2-(2-amino-1,3-thiazol-4-yl)acetic acid hydrochloride2-Amino-4-thiazoleacetic acid hydrochloride4-Thiazoleacetic acid, 2-amino-, monohydrochlorideFT-0641086SCHEMBL9694699SCHEMBL11316615

Database identifiers

CAS
66659-20-9
PubChem CID
13017673
DTXSID
DTXSID00515306
EC Number
676-770-2

Properties

Computed structural properties

Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
152 °C · 152°C
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Methanol (Slightly)
form
Solid
color
White to Off-White
InChI
InChI=1S/C5H6N2O2S.ClH/c6-5-7-3(2-10-5)1-4(8)9;/h2H,1H2,(H2,6,7)(H,8,9);1H

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses2-(2-Aminothiazol-4-yl)acetic Acid-13C, 15N2 Hydrochloride is an intermediate used in the synthesis of Cefotiam Dihydrochloride-13C, 15N2 (C243007), which is labelled Cefotiam Dihydrochloride (C243005), which is an antibiotic product used in injections to treat bacterial infections. Cefotiam Dihydrochloride can also reduce allergic reactions and mixed with pharmaceutical carriers for medical formulations.

Suppliers100 total

武汉远启医药化工有限公司18971192297 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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