octyl 2-aminoacetate hydrochloride

• ChemBase ID: 287179
• Molecular Formular: C10H22ClNO2
• Molecular Mass: 223.74018
• Monoisotopic Mass: 223.13390663
• SMILES: Cl.CCCCCCCCOC(=O)CN
• Canonical SMILES: CCCCCCCCOC(=O)CN.Cl
• InChI: InChI=1S/C10H21NO2.ClH/c1-2-3-4-5-6-7-8-13-10(12)9-11;/h2-9,11H2,1H3;1H
• InChIKey: OORFEZYGSYLFCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octyl 2-aminoacetate hydrochloride
• IUPAC Traditional name: octyl 2-aminoacetate hydrochloride
• Synonyms: Octyl 2-aminoacetate hydrochloride

Database IDs

• CAS Number: 39540-30-2
• MDL Number: MFCD00151827
• PubChem SID: 180672710
• PubChem CID: 2759252

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.51543754
• LogD (pH = 7.4): 1.9278376
• Log P: 2.1005921
• Molar Refractivity: 53.0501 cm^3
• Polarizability: 21.43788 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%