(2-aminoethyl)({2-[(3-aminopropyl)amino]ethyl})amine tetrahydrochloride

• ChemBase ID: 134454
• Molecular Formular: C7H24Cl4N4
• Molecular Mass: 306.10426
• Monoisotopic Mass: 304.07550751
• SMILES: C(CN)CNCCNCCN.Cl.Cl.Cl.Cl
• Canonical SMILES: NCCNCCNCCCN.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C7H20N4.4ClH/c8-2-1-4-10-6-7-11-5-3-9;;;;/h10-11H,1-9H2;4*1H
• InChIKey: WDLWFIMADVGTED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)({2-[(3-aminopropyl)amino]ethyl})amine tetrahydrochloride
• IUPAC Traditional name: (2-aminoethyl)({2-[(3-aminopropyl)amino]ethyl})amine tetrahydrochloride
• Synonyms: 1,4,7,11-Tetraazaundecane tetrahydrochloride; N-(2-Aminoethyl)-N′-(3-aminopropyl)ethylenediamine tetrahydrochloride; 1,4,7,11-四氮杂十一烷 四盐酸盐; N-(2-氨乙基)-N′-(3-氨丙基)乙二胺 四盐酸盐

Database IDs

• CAS Number: 187037-23-6
• MDL Number: MFCD00192463
• Beilstein Number: 6295327
• PubChem SID: 24848706; 162228730
• PubChem CID: 10149597

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -10.876977
• LogD (pH = 7.4): -7.7740273
• Log P: -2.0912898
• Molar Refractivity: 48.1828 cm^3
• Polarizability: 19.74587 Å^3
• Polar Surface Area: 76.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 265-270 °C (dec.)

Safety Information

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

Product Information

• Purity: ≥97.0%
• Linear Formula: NH2CH2CH2CH2NHCH2CH2NHCH2CH2NH2 · 4HCl

DETAILS

Sigma Aldrich - 14523

Packaging
5 g in glass bottle