6-aminoundecanedioic acid hydrochloride

• ChemBase ID: 186384
• Molecular Formular: C11H22ClNO4
• Molecular Mass: 267.74968
• Monoisotopic Mass: 267.12373587
• SMILES: C(=O)(O)CCCCC(N)CCCCC(=O)O.Cl
• Canonical SMILES: NC(CCCCC(=O)O)CCCCC(=O)O.Cl
• InChI: InChI=1S/C11H21NO4.ClH/c12-9(5-1-3-7-10(13)14)6-2-4-8-11(15)16;/h9H,1-8,12H2,(H,13,14)(H,15,16);1H
• InChIKey: PSYJRTBIGLQSKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminoundecanedioic acid hydrochloride
• IUPAC Traditional name: 6-aminoundecanedioic acid hydrochloride

Database IDs

• PubChem SID: 164242294
• PubChem CID: 12260816

CALCULATED PROPERTIES

• Acid pKa: 4.319588
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.7233735
• LogD (pH = 7.4): -3.4857469
• Log P: -1.4087496
• Molar Refractivity: 59.071 cm^3
• Polarizability: 23.595911 Å^3
• Polar Surface Area: 100.62 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds