2-(2-aminoethoxy)ethan-1-amine dihydrochloride

• ChemBase ID: 150696
• Molecular Formular: C4H14Cl2N2O
• Molecular Mass: 177.07276
• Monoisotopic Mass: 176.04831844
• SMILES: C(COCCN)N.Cl.Cl
• Canonical SMILES: NCCOCCN.Cl.Cl
• InChI: InChI=1S/C4H12N2O.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H
• InChIKey: KTCUXFVANABSPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(2-aminoethoxy)ethanamine dihydrochloride
• Synonyms: 2,2′-Oxybis(ethylamine) dihydrochloride; 2-Aminoethyl ether dihydrochloride; 2,2′-Oxydiethylamine dihydrochloride; 2,2'-Oxybis(ethylamine) dihydrochloride; 2,2′-氧代双(乙胺) 二盐酸盐; 2-氨基乙基醚 二盐酸盐; 2,2′-氧双(乙胺) 二盐酸盐

Database IDs

• CAS Number: 60792-79-2
• EC Number: 262-435-4
• MDL Number: MFCD00012891
• Beilstein Number: 3672341
• PubChem SID: 162244857; 24850551
• PubChem CID: 2829023

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.435599
• LogD (pH = 7.4): -5.48414
• Log P: -1.4694182
• Molar Refractivity: 28.9121 cm^3
• Polarizability: 11.8424015 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230-234 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 97%
• Linear Formula: O(CH2CH2NH2)2 · 2HCl

DETAILS

Sigma Aldrich - 176095

Packaging
1, 5 g in glass bottle