2-[(E)-2-(1-carbamimidoyl-1-methylethyl)diazen-1-yl]-2-methylpropanimidamide dihydrochloride

• ChemBase ID: 70534
• Molecular Formular: C8H20Cl2N6
• Molecular Mass: 271.1906
• Monoisotopic Mass: 270.11265003
• SMILES: N(=N\C(C(=N)N)(C)C)/C(C(=N)N)(C)C.Cl.Cl
• Canonical SMILES: NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl
• InChI: InChI=1S/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H/b14-13+
• InChIKey: LXEKPEMOWBOYRF-QDBORUFSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(1-carbamimidoyl-1-methylethyl)diazen-1-yl]-2-methylpropanimidamide dihydrochloride; 2-[2-(1-carbamimidoyl-1-methylethyl)diazen-1-yl]-2-methylpropanimidamide dihydrochloride
• IUPAC Traditional name: 2-[(E)-2-(1-carbamimidoyl-1-methylethyl)diazen-1-yl]-2-methylpropanimidamide dihydrochloride; 2-[2-(1-carbamimidoyl-1-methylethyl)diazen-1-yl]-2-methylpropanimidamide dihydrochloride
• Synonyms: 2,2'-(Diazene-1,2-diyl)bis(2-methylpropanimidamide) dihydrochloride; α,α′-Azodiisobutyramidine dihydrochloride; 2,2′-Azobis(2-methylpropionamidine) dihydrochloride; AAPH; 2,2'-Azobisisobutyramidinium chloride; 2,2'-Azobis(2-amidinopropane) dihydrochloride; 2,2′-Azobis(2-methylpropionamidine) dihydrochloride; α,α′-Azodiisobutyramidine dihydrochloride; 2,2'-偶氮二异丁基脒 二盐酸盐; 2,2-偶氮二(2-甲基丙基咪) 二盐酸盐; 2,2'-偶氮二(2-甲基丙基咪) 二盐酸盐; 2,2'-偶氮二异丁基脒 二盐酸盐

Database IDs

• CAS Number: 2997-92-4
• EC Number: 221-070-0
• MDL Number: MFCD00142725
• Beilstein Number: 3718854
• PubChem SID: 24847285; 162036249; 24867630
• PubChem CID: 84924; 76344
• Chemspider ID: 68821
• Wikipedia Title: 2,2'-Azobis(2-amidinopropane)_dihydrochloride

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -5.13614
• LogD (pH = 7.4): -4.4146075
• Log P: -0.31975856
• Molar Refractivity: 76.2096 cm^3
• Polarizability: 20.9088 Å^3
• Polar Surface Area: 124.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetone, dioxane, methanol, ethanol, DMSO and water: soluble
• Apperance: granular
• Melting Point: ~178 °C (dec.); 175-177 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3226
• German water hazard class: 1
• Hazard Class: 4.1
• Risk Statements: 5-22-43
• Safety Statements: 24-37
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H242-H302-H317
• GHS Precautionary statements: P280
• RID/ADR: UN 3226 4.1

Product Information

• Purity: ≥98.0% (AT); 95+%; 97%
• Grade: purum
• t1/2: 10 hr(56 °C)
• Linear Formula: [=NC(CH3)2C(=NH)NH2]2·2HCl
• Empirical Formula (Hill Notation): C8H18N6 · 2HCl

DETAILS

Sigma Aldrich - 440914

Application
Free radical initiator.Polymerization initiator for acrylic, vinyl and allyl monomers.
Packaging
25, 100 g in poly bottle
Features and Benefits
Undergoes first order decomposition to a cationic radical. Decomposes on exposure to UV. Compatible with cationic surfactants. Decomposition rate is pH dependent