2-aminopentan-1-ol

• ChemBase ID: 150135
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: CCCC(CO)N
• Canonical SMILES: CCCC(CO)N
• InChI: InChI=1S/C5H13NO/c1-2-3-5(6)4-7/h5,7H,2-4,6H2,1H3
• InChIKey: ULAXUFGARZZKTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopentan-1-ol
• IUPAC Traditional name: 2-aminopentan-1-ol
• Synonyms: DL-2-Amino-1-pentanol; DL-2-氨基-1-戊醇

Database IDs

• CAS Number: 4146-04-7
• MDL Number: MFCD00009809
• PubChem SID: 24854182; 162244297
• PubChem CID: 249017

CALCULATED PROPERTIES

• Acid pKa: 15.127831
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.943824
• LogD (pH = 7.4): -2.269793
• Log P: 0.068105206
• Molar Refractivity: 29.7549 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 194-195 °C(lit.)
• Flash Point: 203 °F; 95 °C
• Density: 0.922 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4511(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: 97%
• Linear Formula: CH3CH2CH2CH(NH2)CH2OH

DETAILS

Sigma Aldrich - 236683

Packaging
1 g in glass bottle