Methyl 3-phenyl-DL-alaninate hydrochloride

HCID 3084017

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Basic information

CAS: 5619-07-8
Standard SMILES: COC(=O)C(N)Cc1ccccc1.Cl
InChIKey: SWVMLNPDTIFDDY-UHFFFAOYSA-N
Molecular formula: C10H14ClNO2
Average molar mass: 215.67 g/mol
Monoisotopic mass: 215.07130637

Names & identifiers

Preferred name: Methyl 3-phenyl-DL-alaninate hydrochloride
IUPAC: methyl 2-amino-3-phenylpropanoate;hydrochloride
English name: DL-Phenylalanine methyl ester hydrochloride
Molecular formula: C10H14ClNO2
Molecular weight: 215.68

Names & synonyms

5619-07-8Methyl 3-phenyl-DL-alaninate HClEINECS 227-049-2Methyl 3-phenyl-DL-alaninate hydrochloridePhenylalanine, methyl ester, hydrochloride (1:1)RefChem:815636227-049-2DL-Phenylalanine methyl ester hydrochloridemethyl 2-amino-3-phenylpropanoate hydrochlorideH-DL-Phe-OMe.HClMFCD00066113DL-phenylalanine methyl ester, HCl

Show more names

DL-Phe-OMe HClH-DL-PHE-OME HCLTIMTEC-BB SBB003394LABOTEST-BB LT00005870DL-Phe-OMe hydrochlorideDL-PHENYLALANINE-OME HCLDL-PHENYLALANINE METHYL ESTER HCLMethyl-d,1-phenylalanine hydrochloride

methyl 2-amino-3-phenylpropanoate;hydrochlorideMethyl DL-phenylalaninate hydrochlorideF2147-0643H-Phe-OMe . HClH-DL-Phe-OMe . HCl(+/-)-phenylalanine methyl ester hydrochloride3HZ8P6WR8HSCHEMBL136408

Database identifiers

CAS: 5619-07-8、7524-50-7
PubChem CID: 3084017
DTXSID: DTXSID801371284
UNII: 3HZ8P6WR8H
EC Number: 227-049-2

Properties

Computed structural properties

Topological polar surface area: 52.3 Å²
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
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

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 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.