4-Tert-butylbenzene-1,2-diamine
TL;DR: 4-Tert-butylbenzene-1,2-diamine (CAS 68176-57-8) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylbenzene-1,2-diamine
Also Known As: 4-(TERT-BUTYL)BENZENE-1,2-DIAMINE, 4-tert-butylbenzene-1,2-diamine, 4-(tert-Butyl)-1,2-diaminobenzene, 1,2-diamino-4-tert-butylbenzene, 4-tert-butyl-1,2-diaminobenzene
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 68176-57-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)N)N |
| InChIKey | WLOSFXSXVXTKBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-butylbenzene-1,2-diamine (CAS 68176-57-8), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 4-tert-butylbenzene-1,2-diamine.
Chemical Property Profile of 4-Tert-butylbenzene-1,2-diamine
Property Insights of 4-Tert-butylbenzene-1,2-diamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butylbenzene-1,2-diamine. With a topological polar surface area (TPSA) of 52.0 Ų, 4-Tert-butylbenzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylbenzene-1,2-diamine 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
Frequently Asked Questions
What is the CAS number of 4-Tert-butylbenzene-1,2-diamine?
The CAS number of 4-Tert-butylbenzene-1,2-diamine is 68176-57-8.
What is the molecular formula of 4-Tert-butylbenzene-1,2-diamine?
The molecular formula of 4-Tert-butylbenzene-1,2-diamine is C10H16N2.
What is the molecular weight of 4-Tert-butylbenzene-1,2-diamine?
The molecular weight of 4-Tert-butylbenzene-1,2-diamine is 164.13 g/mol.
Where can I buy 4-Tert-butylbenzene-1,2-diamine?
You can request a quote for 4-Tert-butylbenzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylbenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylbenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.