2-(N-methyldodecanamido)acetic acid

• ChemBase ID: 107100
• Molecular Formular: C15H29NO3
• Molecular Mass: 271.39566
• Monoisotopic Mass: 271.21474379
• SMILES: CCCCCCCCCCCC(=O)N(C)CC(=O)O
• Canonical SMILES: CCCCCCCCCCCC(=O)N(CC(=O)O)C
• InChI: InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)
• InChIKey: BACYUWVYYTXETD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(N-methyldodecanamido)acetic acid
• IUPAC Traditional name: gardol
• Synonyms: LAUROYL SARCOSINE; N-Dodecanoyl-N-methylglycine; Sarkosyl L; N-Lauroylsarcosine; N-十二烷酰基-N-甲基甘氨酸; 肌氨酰 L; N-月桂酰肌氨酸

Database IDs

• CAS Number: 97-78-9
• EC Number: 202-608-3
• MDL Number: MFCD00021749
• Beilstein Number: 1792084
• PubChem SID: 162093246; 24874841
• PubChem CID: 7348

CALCULATED PROPERTIES

• Acid pKa: 4.1243777
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2061958
• LogD (pH = 7.4): 0.5132401
• Log P: 3.596701
• Molar Refractivity: 76.3798 cm^3
• Polarizability: 30.080517 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-50 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC)
• Grade: purum p.a.
• Ignition Residue: ≤0.1%
• Description: anionic
• Impurities: ≤0.2% water
• Cation Traces: Ca: ≤20 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤10 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤200 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤20 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: CH3(CH2)10CON(CH3)CH2COOH

DETAILS

MP Biomedicals - 05202543

MP Biomedicals Rare Chemical collection