benzene-1,2,4,5-tetramine tetrahydrochloride

• ChemBase ID: 147943
• Molecular Formular: C6H14Cl4N4
• Molecular Mass: 284.01416
• Monoisotopic Mass: 281.99725719
• SMILES: c1c(c(cc(c1N)N)N)N.Cl.Cl.Cl.Cl
• Canonical SMILES: Nc1cc(N)c(cc1N)N.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
• InChIKey: BZDGCIJWPWHAOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzene-1,2,4,5-tetramine tetrahydrochloride
• IUPAC Traditional name: benzene-1,2,4,5-tetramine tetrahydrochloride
• Synonyms: 1,2,4,5-Tetraaminobenzene tetrahydrochloride; 1,2,4,5-Benzenetetramine tetrahydrochloride; 1,2,4,5-Tetraaminobenzene 四盐酸盐; 1,2,4,5-苯四胺 四盐酸盐

Database IDs

• CAS Number: 4506-66-5
• EC Number: 224-822-6
• MDL Number: MFCD00012970
• Beilstein Number: 3701344
• PubChem SID: 24858402; 24888759; 162242124
• PubChem CID: 78260

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.698281
• LogD (pH = 7.4): -1.452956
• Log P: -1.342458
• Molar Refractivity: 44.8596 cm^3
• Polarizability: 14.889203 Å^3
• Polar Surface Area: 104.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

• Purity: ≥80% (AT)
• Grade: technical; technical grade
• Linear Formula: C6H2(NH2)4·4HCl

DETAILS

Sigma Aldrich - 305065

Packaging
1, 5 g in glass bottle