methyl 2-(methylamino)acetate hydrochloride

• ChemBase ID: 83990
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: O=C(OC)CNC.Cl
• Canonical SMILES: CNCC(=O)OC.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H
• InChIKey: HQZMRJBVCVYVQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(methylamino)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(methylamino)acetate hydrochloride
• Synonyms: methyl 2-(methylamino)acetate hydrochloride; Sarcosine methyl ester hydrochloride; methyl (methylamino)acetate hydrochloride; 肌氨酸甲酯 盐酸盐

Database IDs

• CAS Number: 13515-93-0
• EC Number: 236-853-2
• MDL Number: MFCD00038876
• Beilstein Number: 3619268
• PubChem SID: 24888237; 162071106
• PubChem CID: 83544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5619574
• LogD (pH = 7.4): -0.6150423
• Log P: -0.5690011
• Molar Refractivity: 25.5471 cm^3
• Polarizability: 10.418138 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-119°C; 117-119 °C(lit.); 99 - 101°C
• Hydrophobicity(logP): -0.407

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Hygroscopic/Store under Argon
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (T); 95%; 97%; 98%
• Salt Data: HCl
• Impurities: ≤3% sarcosine hydrochloride
• Linear Formula: CH3NHCH2COOCH3 · HCl

DETAILS

Sigma Aldrich - 84570

Packaging
50, 250 g in poly bottle