3-aminopropan-1-ol; ethane-1,2-diol

• ChemBase ID: 148825
• Molecular Formular: C5H15NO3
• Molecular Mass: 137.1775
• Monoisotopic Mass: 137.10519335
• SMILES: C(CN)CO.C(CO)O
• Canonical SMILES: NCCCO.OCCO
• InChI: InChI=1S/C3H9NO.C2H6O2/c4-2-1-3-5;3-1-2-4/h5H,1-4H2;3-4H,1-2H2
• InChIKey: ZEXFKFYUMFXUBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopropan-1-ol; ethane-1,2-diol
• IUPAC Traditional name: ethylene glycol; propanolamine
• Synonyms: O,O′-Bis(3-aminopropyl)polyethylene glycol; O,O′-Bis(3-aminopropyl)polyethylene glycol 1,500; Poly(ethylene glycol) bis(3-aminopropyl) terminated; O,O′-二(3-氨基丙基)聚乙二醇; 双(3-氨基丙基)聚乙二醇; 双(3-氨基丙基)封端的聚乙二醇

Database IDs

• CAS Number: 34901-14-9
• MDL Number: MFCD00197739
• PubChem SID: 24868712; 24848720; 162242999
• PubChem CID: 16211282

CALCULATED PROPERTIES

• Acid pKa: 15.934239
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2677217
• LogD (pH = 7.4): -3.5967104
• Log P: -1.2556012
• Molar Refractivity: 21.0765 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 °C(lit.); 49-54 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Mol. Weight: Mn ~1,500
• Linear Formula: (C2H4O)nC6H16N2O; NH2(CH2)3(OCH2CH2)nO(CH2)3NH2

DETAILS

Sigma Aldrich - 452572

Frequently Asked Questions
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Packaging
1, 5 g in glass bottle