Acetylcysteamine
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Basic information
- CAS
1190-73-4- 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 propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.7
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
- solubility
- Ether; Dichloromethane; Ethyl Acetate; Methanol
- form
- liquid
- pka
- 9.92 · 9.92±0.10(Predicted)
- color
- Clear
- InChI
- 1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
- InChIKey
- AXFZADXWLMXITO-UHFFFAOYSA-N
- SMILES
- CC(=O)NCCS
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 F3JX85 · NSH3F3JX85
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 4620000 · AC4620000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
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
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A member of the class of acetamides that is the N-acetyl-deriavtive of cysteamine.
Related reactions
31 records
Compound notes
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