6-aminohexan-1-ol

• ChemBase ID: 10645
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: NCCCCCCO
• Canonical SMILES: NCCCCCCO
• InChI: InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
• InChIKey: SUTWPJHCRAITLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminohexan-1-ol
• IUPAC Traditional name: hexanol, 6-amino-
• Synonyms: 6-Amino-1-hexanol; 6-Amino-1-hexanol; 6-Aminohexan-1-ol; 6-氨基-1-己醇

Database IDs

• CAS Number: 4048-33-3
• EC Number: 223-748-1
• MDL Number: MFCD00008241
• Beilstein Number: 1732524
• PubChem SID: 24891004; 24846144; 160973952
• PubChem CID: 19960

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8730893
• LogD (pH = 7.4): -2.4533126
• Log P: 0.15089886
• Molar Refractivity: 34.9231 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-58 °C; 54-58 °C(lit.); 55-58°C; 57-59°C; 58 - 60°C
• Boiling Point: 135-140 °C/30 mmHg(lit.); 136-139°C/30mm; 136-139°C/30mm
• Flash Point: 133°C(271°F)
• Hydrophobicity(logP): -0.0060

Safety Information

• Storage Warning: Hygroscopic; Irritant; IRRITANT, HYGROSCOPIC
• RTECS: MO8840000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 95%; 97%; 98%
• Grade: purum
• Linear Formula: H2N(CH2)6OH

DETAILS

MP Biomedicals - 05201496

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A56353

Packaging
5, 25, 100 g in glass bottle