2-(methylamino)acetic acid hydrochloride

• ChemBase ID: 102729
• Molecular Formular: C3H8ClNO2
• Molecular Mass: 125.55412
• Monoisotopic Mass: 125.02435618
• SMILES: Cl.CNCC(=O)O
• Canonical SMILES: CNCC(=O)O.Cl
• InChI: InChI=1S/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);1H
• InChIKey: WVKIFIROCHIWAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)acetic acid hydrochloride
• IUPAC Traditional name: sarcosine hydrochloride
• Synonyms: N-Methylglycine; SARCOSINE HYDROCHLORIDE; Sarcosine hydrochloride; Methylaminoacetic acid hydrochloride; N-Methylglycine hydrochloride; 2-(methylamino)acetic acid hydrochloride; N-METHYLGLYCINE HCl; N-Methylaminoacetic acid; N-甲基氨基乙酸; N-甲基甘氨酸; 肌氨酸 盐酸盐; 肌氨酸盐酸盐

Database IDs

• CAS Number: 637-96-7
• EC Number: 211-310-2
• MDL Number: MFCD00012609
• Merck Index: 148373
• PubChem SID: 162090172
• PubChem CID: 69483

CALCULATED PROPERTIES

• Acid pKa: 2.0566752
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1863375
• LogD (pH = 7.4): -3.1866522
• Log P: -3.186261
• Molar Refractivity: 20.778 cm^3
• Polarizability: 8.358352 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C; 173-175 °C(lit.); ca 173°C dec.
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• German water hazard class: 3
• TSCA Listed: 是

Product Information

• Purity: 95%; 95+%; 99%
• Linear Formula: CH3NHCH2CO2H·HCl

DETAILS

MP Biomedicals - 02102858

Hydrochloride
Crystalline
Purity: 99%

MP Biomedicals - 05218290

MP Biomedicals Rare Chemical collection