11-aminoundecanoic acid

• ChemBase ID: 105728
• Molecular Formular: C11H23NO2
• Molecular Mass: 201.30582
• Monoisotopic Mass: 201.17287898
• SMILES: NCCCCCCCCCCC(=O)O
• Canonical SMILES: NCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
• InChIKey: GUOSQNAUYHMCRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-aminoundecanoic acid
• IUPAC Traditional name: 11-aminoundecanoic acid
• Synonyms: 11-Aminoundecanoic acid; omega-AMINOUNDECANOIC ACID; 11-AMINOUNDECANOIC ACID; 11-氨基十一酸

Database IDs

• CAS Number: 2432-99-7
• EC Number: 219-417-6
• MDL Number: MFCD00008150
• Beilstein Number: 1767291
• PubChem SID: 162092658; 24891324
• PubChem CID: 17083

CALCULATED PROPERTIES

• Acid pKa: 4.6520185
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18050034
• LogD (pH = 7.4): 0.2265304
• Log P: 0.22594628
• Molar Refractivity: 57.6648 cm^3
• Polarizability: 23.025103 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188-191 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: YQ2293000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 97%
• Linear Formula: NH2(CH2)10CO2H

DETAILS

MP Biomedicals - 05211486

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A82605

Packaging
100, 500 g in poly bottle