Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: Pararosaniline hydrochloride
CAS No.: 569-61-9
Molecular formula: C19H17N3.ClH
Molecular weight: 323.8 g/mol
SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
Structural class:
Other identifiers:

4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)benzeneamine monohydrochloride

alpha-(4-aminophenyl)-alpha-(4-imino-2,5-cyclohexadien-1-ylidene)-4-toluidine monohydrochloride

C.I. Basic Red 9

CI Basic Red 9

hexazonium pararosaniline

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 10mg Purity≥95% 96 2-8℃ in stock -
Kehua Intelligence 25g BS 48 2-8℃ in stock -
Kehua Intelligence 100g BS 160 2-8℃ in stock -
Kehua Intelligence 500g BS 560 2-8℃ in stock -
Kehua Intelligence 100ml 0.2% 80 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride


4.2 InChI

InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H


4.3 InChIKey

JUQPZRLQQYSMEQ-UHFFFAOYSA-N


4.4 Canonical SMILES

C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --