ethyl 2-(methylamino)acetate hydrochloride

• ChemBase ID: 149647
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: CCOC(=O)CNC.Cl
• Canonical SMILES: CNCC(=O)OCC.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
• InChIKey: NIDZUMSLERGAON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(methylamino)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(methylamino)acetate hydrochloride
• Synonyms: Ethyl sarcosinate hydrochloride; Sarcosine ethyl ester hydrochloride; N-Methylglycine ethyl ester hydrochloride; H-Sar-OEt.HCl; ethyl 2-(methylamino)acetate hydrochloride; Ethyl sarcosinate 盐酸盐; 肌氨酸乙酯 盐酸盐; 肌氨酸乙酯盐酸盐

Database IDs

• CAS Number: 52605-49-9
• EC Number: 258-037-5
• MDL Number: MFCD00012506
• Beilstein Number: 3911182
• PubChem SID: 24855284; 162243810; 24888236
• PubChem CID: 171173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2047441
• LogD (pH = 7.4): -0.2581888
• Log P: -0.21219315
• Molar Refractivity: 30.2957 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear
• Melting Point: ~125 °C; 122-126°C; 127 - 128°C; 127-128 °C(lit.)
• Hydrophobicity(logP): 0.122

Safety Information

• Storage Warning: Hygroscopic
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (AT); 95%; 98%; 98+%; 99%
• Grade: puriss.
• Ignition Residue: ≤0.05%
• Linear Formula: CH3NHCH2COOC2H5 · HCl

DETAILS

Sigma Aldrich - 255084

Packaging
10, 50 g in poly bottle