1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
TL;DR: 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) (CAS 2052-46-2) is a chemical compound with molecular formula C8H13ClN2 and molecular weight 172.07672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
Also Known As: N,N-Dimethyl-p-phenylenediamine monohydrochloride, N1,N1-Dimethylbenzene-1,4-diamine hydrochloride, 4-Dimethylamineaniline, HCl, 4-Dimethylamineaniline HCl, 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H13ClN2 |
| Molecular Weight | 172.07672 g/mol |
| XLogP | 1.76 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.07672 Da |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
| SMILES | CN(C)C1=CC=C(C=C1)N.Cl |
| InChIKey | KTWNIUBGGFBRKH-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
Property Insights of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
The XLogP value of 1.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 29.3 Ų, 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)?
The CAS number of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) is 2052-46-2.
What is the molecular formula of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)?
The molecular formula of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) is C8H13ClN2.
What is the molecular weight of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)?
The molecular weight of 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) is 172.07672 g/mol.
Where can I buy 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)?
You can request a quote for 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.