4-甲基-1,3-苯二胺盐酸盐(1:1)
TL;DR: 4-甲基-1,3-苯二胺盐酸盐(1:1) (CAS 5459-85-8) is a chemical compound with molecular formula C7H11ClN2 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-1,3-苯二胺盐酸盐(1:1)
4-methylbenzene-1,3-diamine;hydrochloride
Also Known As: 2,4-Diaminotoluene hydrochloride, Toluene-2, monohydrochloride, Toluene-2,4-diamine, monohydrochloride, 1,3-Benzenediamine, 4-methyl-, monohydrochloride, 1, 4-methyl-, monohydrochloride
| Molecular Formula | C7H11ClN2 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.06108 |
| Heavy Atoms | 10 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 5459-85-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)N.Cl |
| InChIKey | IHJBOVQRFCCUJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-1,3-苯二胺盐酸盐(1:1) (CAS 5459-85-8), with molecular formula C7H11ClN2 and molecular weight 158.06 g/mol. IUPAC: 4-methylbenzene-1,3-diamine;hydrochloride.
Chemical Property Profile of 4-甲基-1,3-苯二胺盐酸盐(1:1)
Property Insights of 4-甲基-1,3-苯二胺盐酸盐(1:1)
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-1,3-苯二胺盐酸盐(1:1). With a topological polar surface area (TPSA) of 52.0 Ų, 4-甲基-1,3-苯二胺盐酸盐(1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-1,3-苯二胺盐酸盐(1:1) has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-甲基-1,3-苯二胺盐酸盐(1:1)?
The CAS number of 4-甲基-1,3-苯二胺盐酸盐(1:1) is 5459-85-8.
What is the molecular formula of 4-甲基-1,3-苯二胺盐酸盐(1:1)?
The molecular formula of 4-甲基-1,3-苯二胺盐酸盐(1:1) is C7H11ClN2.
What is the molecular weight of 4-甲基-1,3-苯二胺盐酸盐(1:1)?
The molecular weight of 4-甲基-1,3-苯二胺盐酸盐(1:1) is 158.06 g/mol.
Where can I buy 4-甲基-1,3-苯二胺盐酸盐(1:1)?
You can request a quote for 4-甲基-1,3-苯二胺盐酸盐(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1,3-苯二胺盐酸盐(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1,3-苯二胺盐酸盐(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.