Acetylcysteamine

HCID 14484CAS 1190-73-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)NCCS
InChIKey
AXFZADXWLMXITO-UHFFFAOYSA-N
Molecular formula
C4H9NOS
Average molar mass
119.19 g/mol
Monoisotopic mass
119.04048491

Overview

N-acetylcysteamine is a member of the class of acetamides that is the N-acetyl-deriavtive of cysteamine. It has a role as a metabolite. It is functionally related to a cysteamine.

Names & identifiers

Preferred name
Acetylcysteamine
IUPAC
N-(2-sulfanylethyl)acetamide
English name
N-(2-Mercaptoethyl)acetamide
Molecular formula
C4H9NOS
Molecular weight
119.19

Names & synonyms

N-Acetylcysteamine1190-73-4N-(2-Mercaptoethyl)acetamideAcetylcysteamine2-AcetamidoethanethiolN-AcetylmercaptoethylamineCysteamine,N-acetylNSH3F3JX85N-acetyl-beta-mercaptoethylamineDTXSID90152289NSC-38835thiol N-acetyl-beta-mercaptoethylamine
Show more names
n-acetylcysteamin2-(acetylamino)-ethanethio
CHEBI:74410TNA-mercaptoethylamineRefChem:462774DTXCID8074780Acetamide, N-(2-mercaptoethyl)-N-(2-Sulfanylethyl)acetamideCysteamine, N-acetyl-N-Acetyl cysteamin

Database identifiers

CAS
1190-73-4
PubChem CID
14484
DTXSID
DTXSID90152289
ChEBI
CHEBI:74410
UNII
NSH3F3JX85
EC Number
683-054-3
Nikkaji
J13.153I

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
30.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Melting point
6 · 6-7 °C (lit.)
Boiling point
138 · 138-140 °C/7 mmHg (lit.)
Density
1.121 g/mL · 1.121 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.511(lit.)
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
AC4620000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesN-Acetylcysteamine is an intermediate used in the synthesis of (E,E)-Piperic Acid S-[2-(Acetylamino)ethyl] Ester (P481490), which is an analog of (E,E)-Piperic Acid (P481530).

Upstream & downstream products

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of acetamides that is the N-acetyl-deriavtive of cysteamine.

Related reactions

31 records
New reaction record

Linked notes

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