Arginine, ethyl ester
Basic information
- CAS
28696-31-3- Standard SMILES
CCOC(=O)[C@@H](N)CCCN=C(N)N- InChIKey
AKGWUHIOEVNNPC-LURJTMIESA-N- Molecular formula
- C8H18N4O2
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.14297583
Overview
Arg-OEt is a L-arginine ester.
Names & identifiers
- Preferred name
- Arginine, ethyl ester
- IUPAC
- ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
- English name
- Arginine ethyl ester
- Molecular formula
- C8H18N4O2
- Molecular weight
- 202.25
Names & synonyms
Arginine, ethyl esterarginine ethyl ester28696-31-3ArgEE cpdL-Arginine, ethyl esterArginine, ethyl ester, Larginine ethylesterETHYL L-ARGININATEB55W8VNE0LL-ARGININE ETHYL ESTERethyl argininateETHYL L-ARGININE
Show more names
Ibuprofen Impurity 79AKGWUHIOEVNNPC-LURJTMIESA-NArginine ethyl ester USP/EP/BP
DTXSID60182856RefChem:559944DTXCID00105347686-218-2Arg-OEtEthyl arginateUNII-B55W8VNE0Lethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
Database identifiers
- CAS
28696-31-3- PubChem CID
- 439495
- DTXSID
DTXSID60182856- ChEMBL
CHEMBL5282577- ChEBI
CHEBI:2818- UNII
- B55W8VNE0L
- EC Number
- 686-218-2
- Nikkaji
- J313.918B
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 313.3 · 313.3±52.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.70(Predicted)
- FDA UNII
- 55 W8VNE0L · B55W8VNE0L
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
This chemical does not meet GHS hazard criteria for 100% (53 of 53) of all reports.
Not Classified
Aggregated GHS information provided per 53 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Arg-OEt is a L-arginine ester.
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Compound notes
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