Methyl L-phenylalaninate hydrochloride
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Basic information
- CAS
7524-50-7- Standard SMILES
COC(=O)[C@@H](N)Cc1ccccc1.Cl- InChIKey
SWVMLNPDTIFDDY-FVGYRXGTSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.07130637
Names & identifiers
- Preferred name
- Methyl L-phenylalaninate hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
- English name
- Methyl L-phenylalaninate hydrochloride
- Molecular formula
- C10H14ClNO2
- Molecular weight
- 215.68
Names & synonyms
Methyl L-phenylalaninate hydrochlorideMethyl L-phenylalaninate HCl47HK4Y94JAmethyl (2S)-2-amino-3-phenylpropanoate hydrochlorideEINECS 231-383-4phenylalanine methyl ester hydrochlorideMETHYL (S)-PHENYLALANINATE HYDROCHLORIDENSC 194642NSC-194642Phenylalanine hydrochloride methyl esterMETHYL L-PHENYLALANINATE HYDROCHLORIDE, (+)-L-PHENYLALANINE, METHYL ESTER, HYDROCHLORIDE (1:1)
Show more names
Phe-OMe.HclH-PHE-OME HCLH-PHE-OME·HCLL-Phe-OMe.HCLL-Phenylalanine methyl ester hydrochloride,98%(S)-Methyl 2-amino-3-phenylpropanoate hydrochlorideH-Phe-OMeClH-L-PHE-OME HCL
(2S)-2-AMINO-3-PHENYLPROPIONIC ACID METHYL ESTER HYDROCHLORIDERefChem:817824231-383-47524-50-7L-Phenylalanine methyl ester hydrochlorideH-Phe-OMe.HClH-Phe-OMe.hydrochlorideMFCD00012489
Database identifiers
- CAS
7524-50-7- PubChem CID
- 75736
- DTXSID
DTXSID401362891- ChEMBL
CHEMBL1221959- UNII
- 47HK4Y94JA
- EC Number
- 231-383-4
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 158 · 158-162 °C(lit.)
- alpha
- 37 · 37 º (c=2, C2H5OH)
- refractive index
- 38 ° · 38 ° (C=2, EtOH)
- storage temp.
- -20 °C · -20°C
- solubility
- It is soluble in methanol. (5mg/ ml-clear colorless solution)
- form
- Fine Crystalline Powder
- color
- White to off-white
- optical activity
- 20 · [α]20/D +32.4°, c = 2 in ethanol
- Sensitive
- Hygroscopic
- BRN
- 3597948 · 3597948
- InChI
- InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/s3
- InChIKey
- SWVMLNPDTIFDDY-OVMXBOEKNA-N
- SMILES
- C1(C=CC=CC=1)C[C@H](N)C(=O)OC.Cl |&1:7,r|
- CAS DataBase Reference
- 7524 · 7524-50-7(CAS DataBase Reference)
- FDA UNII
- 47 HK4Y94JA · 47HK4Y94JA
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 14.3% (1 of 7) of reports.
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29224995
- risk_code
- 36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- safety_code
- 24/25-45-36/37/39-27-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesProtected (S) enantiomer of the amino acid Phenylalanine.
UsesMethyl L-phenylalaninate hydrochloride is used in pharmaceutical, food,animal feed,cosmetic,bio-chemical research etc.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
218 records
Compound notes
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