Basic information
- CAS
617-27-6- Standard SMILES
CCOC(=O)C(C)[NH3+].[Cl-]- InChIKey
JCXLZWMDXJFOOI-UHFFFAOYSA-N- Molecular formula
- C5H12ClNO2
- Average molar mass
- 153.61 g/mol
- Monoisotopic mass
- 153.0556563
Overview
See also: Alanine, ethyl ester, hydrochloride (1:1) (preferred).
Names & identifiers
- Preferred name
- (1-Ethoxy-1-oxopropan-2-yl)azanium;chloride
- IUPAC
- (1-ethoxy-1-oxopropan-2-yl)azanium chloride
- English name
- Ethyl 2-aminopropanoate hydrochloride
- Molecular formula
- C5H12ClNO2
- Molecular weight
- 153.61
Names & synonyms
(1-ethoxy-1-oxopropan-2-yl)azanium;chlorideNSC 46032DL-Ala-OEt·HClH-DL-ALA-OET HCLDL-ALANINE-OET HCLTIMTEC-BB SBB004040Ethyl alaninate HCLDL-Alanine ethyl estDL-ALA ETHYL ESTER HCLH-DL-ALA-OET HYDROCHLORIDEDL-Alanine Ethyl Ester HCl
Database identifiers
- CAS
617-27-6- PubChem CID
- 69235
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 82.5
Physicochemical properties
- Melting point
- 85 · 85-87 °C(lit.)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Methanol (Sparingly), Water
- form
- Granular Powder and Granules
- color
- White
- Sensitive
- Hygroscopic
- BRN
- 3654425 · 3654425
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H
- InChIKey
- JCXLZWMDXJFOOI-UHFFFAOYSA-N
- SMILES
- C(=O)(C(N)C)OCC.Cl
- CAS DataBase Reference
- 617 · 617-27-6(CAS DataBase Reference)
- EPA Substance Registry System
- Alanine, ethyl ester, hydrochloride (617-27-6)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08,GHS02
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02
- hazard_code
- Xi
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H304-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
Chemistry & industry
Applications
UsesAlanine derivative
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
扬州旭达生物科技有限公司15161820588; 15161820588 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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