5-aminopentan-1-ol

• ChemBase ID: 74474
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: OCCCCCN
• Canonical SMILES: NCCCCCO
• InChI: InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2
• InChIKey: LQGKDMHENBFVRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopentan-1-ol
• IUPAC Traditional name: 5-aminopentanol
• Synonyms: 5-AMINO-1-PENTANOL; 5-Aminopentan-1-ol, 50% aqueous solution; 5-Amino-1-pentanol solution; 5-Amino-1-pentanol; 5-氨基-1-戊醇 溶液; 5-氨基-1-戊醇

Database IDs

• CAS Number: 2508-29-4
• EC Number: 219-718-2
• MDL Number: MFCD00008237
• Beilstein Number: 1732302
• PubChem SID: 162039393; 24847516; 24847138
• PubChem CID: 75634

CALCULATED PROPERTIES

• Acid pKa: 16.843916
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3176572
• LogD (pH = 7.4): -2.8978553
• Log P: -0.2936698
• Molar Refractivity: 30.3221 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33-35 °C(lit.); 34-37°C; 35-37°C
• Boiling Point: 120-122 °C/16 mmHg(lit.); 122 °C/16 mmHg(lit.); 122°C/16mm; 222°C
• Flash Point: >100°C(212°F); 150.8 °F; 66 °C
• Density: 0.945; 0.949; 0.949 g/mL at 25 °C(lit.); 0.99 g/mL at 20 °C
• Refractive Index: 1.4615; n20/D 1.4615(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive
• European Hazard Symbols: Corrosive (C); X; Irritant (Xi)
• UN Number: 2735; 3259; UN3259
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 22-34; 22-35; R:36/37/38
• Safety Statements: 26-36/37/39-45; S:20-25-26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H302-H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3; UN 3259 8/PG 3

Product Information

• Purity: 95%; 97%
• Concentration: 50% in H2O
• Linear Formula: NH2(CH2)5OH

DETAILS

MP Biomedicals - 05203576

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 123048

Packaging
10, 50 g in poly bottle

Sigma Aldrich - 11318

Packaging
100 g in poly bottle