4-[2-(4-aminophenyl)ethenyl]aniline dihydrochloride

• ChemBase ID: 145772
• Molecular Formular: C14H16Cl2N2
• Molecular Mass: 283.19624
• Monoisotopic Mass: 282.06905388
• SMILES: c1cc(ccc1/C=C/c1ccc(cc1)N)N.Cl.Cl
• Canonical SMILES: Nc1ccc(cc1)/C=C/c1ccc(cc1)N.Cl.Cl
• InChI: InChI=1S/C14H14N2.2ClH/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;;/h1-10H,15-16H2;2*1H
• InChIKey: QHDAFTKIEDDTPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-aminophenyl)ethenyl]aniline dihydrochloride
• IUPAC Traditional name: 4-[2-(4-aminophenyl)ethenyl]aniline dihydrochloride
• Synonyms: 4,4′-Vinylenedianiline dihydrochloride; 4,4′-Diaminostilbene dihydrochloride; 4,4′-乙炔双苯胺 二盐酸盐; 4,4′-二氨基二苯乙烯 二盐酸盐

Database IDs

• CAS Number: 54760-75-7
• MDL Number: MFCD00012984
• PubChem SID: 24893694; 162239974
• PubChem CID: 11954176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6053338
• LogD (pH = 7.4): 2.6545832
• Log P: 2.655235
• Molar Refractivity: 70.9136 cm^3
• Polarizability: 25.861563 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °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%
• Linear Formula: H2NC6H4CH=CHC6H4NH2 · 2HCl

DETAILS

Sigma Aldrich - D25206

Packaging
1 g in glass bottle