2-aminodecanoic acid

• ChemBase ID: 156597
• Molecular Formular: C10H21NO2
• Molecular Mass: 187.27924
• Monoisotopic Mass: 187.15722892
• SMILES: CCCCCCCCC(C(=O)O)N
• Canonical SMILES: CCCCCCCCC(C(=O)O)N
• InChI: InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
• InChIKey: JINGUCXQUOKWKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminodecanoic acid
• IUPAC Traditional name: 2-aminodecanoic acid
• Synonyms: 2-Aminocapric acid; 2-Aminodecanoic acid; 2-氨基羊蜡酸; 2-氨基癸酸

Database IDs

• CAS Number: 17702-88-4
• MDL Number: MFCD01862887
• Beilstein Number: 1767663
• PubChem SID: 162250734; 24846092
• PubChem CID: 307923

CALCULATED PROPERTIES

• Acid pKa: 2.68233
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34911114
• LogD (pH = 7.4): 0.3466335
• Log P: 0.34940258
• Molar Refractivity: 52.6273 cm^3
• Polarizability: 21.184383 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~262 °C (dec.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (NT)
• Empirical Formula (Hill Notation): C10H21NO2