Basic information
- Standard SMILES
CCOC(=O)CCN.Cl- InChIKey
RJCGNNHKSNIUAT-UHFFFAOYSA-N- Molecular formula
- C5H12ClNO2
- Average molar mass
- 153.61 g/mol
- Monoisotopic mass
- 153.0556563
Names & identifiers
- Preferred name
- beta-Alanine, ethyl ester, hydrochloride
- IUPAC
- ethyl 3-aminopropanoate;hydrochloride
Names & synonyms
4244-84-2Ethyl beta-alaninate hydrochloridebeta-Alanine, ethyl ester, hydrochlorideRefChem:1079582210-507-0224-203-0ethyl 3-aminopropanoate hydrochloridebeta-Alanine ethyl ester hydrochlorideEthyl 3-aminopropionate hydrochlorideH-beta-Ala-OEt.HClMFCD00012909Ethyl beta-alaninate HCl
Show more names
5PFW4XA3XGb-alanine ethyl ester hydrochlorideethyl 3-aminopropanoate;hydrochlorideEINECS 224-203-0UNII-5PFW4XA3XGNSC-119551SCHEMBL29883-Aminopropionic Acid Ethyl Ester Hydrochloride
Database identifiers
- CAS
4244-84-2- PubChem CID
- 458475
- DTXSID
DTXSID60195224- ChEMBL
CHEMBL1880930- UNII
- 5PFW4XA3XG
- EC Number
- 224-203-0
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.8
Safety & regulation
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
295 records
Linked notes
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