6-(methylamino)hexan-1-ol

• ChemBase ID: 53447
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: N(CCCCCCO)C
• Canonical SMILES: OCCCCCCNC
• InChI: InChI=1S/C7H17NO/c1-8-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3
• InChIKey: RURWAYHDLRPVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methylamino)hexan-1-ol
• IUPAC Traditional name: 6-(methylamino)hexan-1-ol
• Synonyms: 6-(Methylamino)hexan-1-ol; 6-METHYLAMINOHEXANOL-1

Database IDs

• CAS Number: 50347-17-6
• MDL Number: MFCD00046026
• PubChem SID: 162058210
• PubChem CID: 10942457

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.651757
• LogD (pH = 7.4): -2.306381
• Log P: 0.5834793
• Molar Refractivity: 39.6977 cm^3
• Polarizability: 15.770842 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%