Acetylglycine

HCID 10972
NotesReactions
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Basic information

CAS
543-24-8
Standard SMILES
CC(=O)NCC(=O)O
InChIKey
OKJIRPAQVSHGFK-UHFFFAOYSA-N
Molecular formula
C4H7NO3
Average molar mass
117.1 g/mol
Monoisotopic mass
117.04259308

Overview

N-acetylglycine is an N-acylglycine where the acyl group is specified as acetyl. It has a role as a human metabolite. It is a N-acylglycine and a N-acetyl-amino acid. It is a conjugate acid of a N-acetylglycinate.

Names & identifiers

Preferred name
Acetylglycine
IUPAC
2-acetamidoacetic acid
English name
N-Acetylglycine
Molecular formula
C4H7NO3
Molecular weight
117.1

Names & synonyms

N-ACETYLGLYCINE543-24-82-Acetamidoacetic acidAceturic acidAcetamidoacetic acidAcetylglycineGlycine, N-acetyl-Acetylaminoacetic acidAcetylglycocollEthanoylaminoethanoic acidU2UT4677KRacetylaminoacetate
Show more names
N-Ac-Gly-OHN-AceylglycineAC GLYNSC 7605AC-GLYCINEAKOS B029711
NSC-7605DTXSID2043793CHEBI:40410acetylglycinateRefChem:162741DTXCID0023793208-839-6Ac-Gly-OH

Database identifiers

CAS
543-24-8
PubChem CID
10972
DTXSID
DTXSID2043793
ChEMBL
CHEMBL289004
ChEBI
CHEBI:40410
UNII
U2UT4677KR
EC Number
208-839-6
Nikkaji
J2.645J

Properties

Computed structural properties

XLogP
-1.2
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
Solubility26.3 mg/mL at 15 °C
Melting Point207 - 209 °C
Physical Description · 2 items

Solid; [Merck Index] White powder; [Alfa Aesar MSDS]

Solid

Physicochemical properties

Melting point
207 · 207-209 °C (lit.)
Boiling point
218.88 °C · 218.88°C (rough estimate)
Density
1.3886 · 1.3886 (rough estimate)
refractive index
1.454 · 1.4540 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
26.3 g/l · 26.3g/l

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Glycine, N-acetyl-

Glycine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (25%)

Safety data

wgk
3
tsca
TSCA listed
hs_code
29241900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Tissue LocationsPlacenta
Cellular LocationsCytoplasm

Uses & manufacturing

General Manufacturing InformationGlycine, N-acetyl-: ACTIVE

Applications

UsesN-Acetyl-glycine is a derivative of Glycine (G615990). It is an intermediate used to synthesize rac 3-O-Methyl DOPA (M303805) which is an impurity of Levodopa.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北瑞泰医药科技有限公司15335880183

Additional notes

DefinitionChEBI: An N-acylglycine where the acyl group is specified as acetyl.

Related reactions

151 records
New reaction record

Compound notes

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