Hydron;methyl 2-amino-3-phenylpropanoate;chloride
Basic information
- CAS
5619-07-8- Standard SMILES
COC(=O)C(N)Cc1ccccc1.[Cl-].[H+]- InChIKey
SWVMLNPDTIFDDY-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.0713064
Overview
See also: Methyl 3-phenyl-DL-alaninate hydrochloride (preferred).
Names & identifiers
- Preferred name
- Hydron;methyl 2-amino-3-phenylpropanoate;chloride
- IUPAC
- hydron;methyl 2-amino-3-phenylpropanoate;chloride
- English name
- DL-Phenylalanine methyl ester hydrochloride
- Molecular formula
- C10H14ClNO2
- Molecular weight
- 215.68
Names & synonyms
SCHEMBL9676529AKOS025395631DL-Phe-OMe HClH-DL-PHE-OME HCLTIMTEC-BB SBB003394LABOTEST-BB LT00005870DL-Phe-OMe hydrochlorideDL-PHENYLALANINE-OME HCLDL-PHENYLALANINE METHYL ESTER HCLMethyl-d,1-phenylalanine hydrochlorideMethyl DL-phenylalaninate hydrochlorideDL-Phenylalanine methyl ester hydrochloride
Database identifiers
- CAS
5619-07-8- PubChem CID
- 67904184
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 158 · 158-162°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Methanol (Sparingly)
- form
- Solid
- color
- Off-White to Pale Grey
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Hygroscopic
- BRN
- 3597947 · 3597947
- InChI
- InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
- InChIKey
- SWVMLNPDTIFDDY-UHFFFAOYSA-N
- SMILES
- C1(C=CC=CC=1)CC(N)C(=O)OC.Cl
- CAS DataBase Reference
- 5619 · 5619-07-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesDL-Phenylalanine methyl ester hydrochloride, is an aminoacid which is widely used in pharmaceuticals and foods.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…