2-(dimethylamino)acetic acid hydrochloride

• ChemBase ID: 102417
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: Cl.CN(C)CC(=O)O
• Canonical SMILES: CN(CC(=O)O)C.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
• InChIKey: FKASAVXZZLJTNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)acetic acid hydrochloride
• IUPAC Traditional name: dimethylglycine hydrochloride
• Synonyms: N,N-DIMETHYLAMINOACETIC ACID HCl; 2-(dimethylamino)acetic acid hydrochloride; N,N-Dimethylaminoacetic acid hydrochloride; N,N-Dimethylglycine hydrochloride; N-Methylsarcosine hydrochloride; (Dimethylamino)acetic acid hydrochloride; N,N-DIMETHYLGLYCINE HYDROCHLORIDE; N,N-二甲基甘氨酸盐酸盐

Database IDs

• CAS Number: 2491-06-7
• EC Number: 219-648-2
• MDL Number: MFCD00012610
• Beilstein Number: 3910578
• Merck Index: 143244
• PubChem SID: 24894022; 162088485; 24865219
• PubChem CID: 75605

CALCULATED PROPERTIES

• Acid pKa: 1.8808128
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.060791
• LogD (pH = 7.4): -3.0625443
• Log P: -3.0607824
• Molar Refractivity: 26.0727 cm^3
• Polarizability: 10.177998 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-194 °C(lit.); 189-194°C; 189-194°C; 190-193 °C (dec.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: MB9995000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (AT); 98%; 99%
• Grade: puriss.
• Salt Data: HCl
• Linear Formula: (CH3)2NCH2COOH · HCl

DETAILS

MP Biomedicals - 05202366

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101597

Hydrochloride
Crystalline

Sigma Aldrich - D6382

Biochem/physiol Actions
N,N-Dimethylglycine (DMG) is a natural N-methylated glycine that is used in comparative analysis with other N-methylated glycines such as sarcosine and βine. N,N-Dimethylglycine is used in the development of glycine-based ionic liquids and emulsifiers. N,N-Dimethylglycine is potentially useful as a biomarker of protein degradation in COPD patients. DMG is used as a substrate to identify, differentiate and characterize amino acid methyltransferase(s).