2-(methylamino)acetamide hydrochloride

• ChemBase ID: 49260
• Molecular Formular: C3H9ClN2O
• Molecular Mass: 124.56936
• Monoisotopic Mass: 124.0403406
• SMILES: C(=O)(N)CNC.Cl
• Canonical SMILES: CNCC(=O)N.Cl
• InChI: InChI=1S/C3H8N2O.ClH/c1-5-2-3(4)6;/h5H,2H2,1H3,(H2,4,6);1H
• InChIKey: VVIXOTCTYAILNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: 2-(methylamino)acetamide hydrochloride
• Synonyms: 2-(Methylamino)acetamide hydrochloride; Sarcosinamide hydrochloride

Database IDs

• CAS Number: 5325-64-4
• MDL Number: MFCD00058283
• PubChem SID: 162054023; 24899618
• PubChem CID: 13892956

CALCULATED PROPERTIES

• Acid pKa: 16.518812
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4958878
• LogD (pH = 7.4): -2.9424477
• Log P: -1.5218378
• Molar Refractivity: 22.6002 cm^3
• Polarizability: 9.0116005 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): -1.53

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C3H8N2O · HCl