4-aminobutan-1-ol

• ChemBase ID: 38350
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: C(CCCN)O
• Canonical SMILES: NCCCCO
• InChI: InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
• InChIKey: BLFRQYKZFKYQLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminobutan-1-ol
• IUPAC Traditional name: 4-aminobutan-1-ol
• Synonyms: 4-Amino-1-butanol; 4-Aminobutan-1-ol; 4-Amino-1-butanol; 4-Hydroxy-n-butylamine; AMino-1-butanol; 4-氨基-1-丁醇

Database IDs

• CAS Number: 13325-10-5
• EC Number: 236-364-4
• MDL Number: MFCD00008230
• Beilstein Number: 1731411
• PubChem SID: 24850731; 24846024; 161001657
• PubChem CID: 25868

CALCULATED PROPERTIES

• Acid pKa: 15.972589
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7532248
• LogD (pH = 7.4): -3.1302938
• Log P: -0.73823845
• Molar Refractivity: 25.7211 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16-18 °C(lit.); 16-18°C; 16-18°C
• Boiling Point: 206 °C(lit.); 206°C; 206°C
• Flash Point: 104 °C; 107°C(224°F); 219.2 °F
• Density: 0.967; 0.967 g/ml; 0.967 g/mL at 25 °C(lit.)
• Refractive Index: 1.4610; n20/D ~1.462(lit.); n20/D 1.463

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic; AIR SENSITIVE, HYGROSCOPIC, CORROSIVE
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 22-34; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H302
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: 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

Product Information

• Purity: ≥95.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: H2N(CH2)4OH

DETAILS

MP Biomedicals - 05207528

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 178330

Packaging
1, 5 g in glass bottle