p-Phenylenediamine dihydrochlorideProduct ingredient for p-Phenylenediamine
- Name
- p-Phenylenediamine dihydrochloride
- Drug Entry
- p-Phenylenediamine
- Accession Number
- DBSALT002743
- Structure
Structure for p-Phenylenediamine dihydrochloride (DBSALT002743)
- Synonyms
- 1,4-Benzenediamine hydrochloride / 1,4-Diaminobenzene dihydrochloride / 1,4-Phenylenediamine hydrochloride / p-PD HCl / p-Phenylenediamine HCl / p-Phenylenediamine hydrochloride / Phenylenediamine dihydrochloride
- External IDs
- CI 76061
- UNII
- GL418131I1
- CAS Number
- 624-18-0
- Weight
- Average: 181.06
Monoisotopic: 180.0221037 - Chemical Formula
- C6H10Cl2N2
- InChI Key
- IYXMNTLBLQNMLM-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
- IUPAC Name
- benzene-1,4-diamine dihydrochloride
- SMILES
- Cl.Cl.NC1=CC=C(N)C=C1
- External Links
- ChemSpider
- 11705
- ChEMBL
- CHEMBL3561416
- Predicted Properties
Property Value Source Water Solubility 75.8 mg/mL ALOGPS logP -0.01 ALOGPS logP 0.32 Chemaxon logS -0.15 ALOGPS pKa (Strongest Basic) 6.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.04 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 35.46 m3·mol-1 Chemaxon Polarizability 11.72 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon