1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-
TL;DR: 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- (CAS 106917-60-6) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-tert-butyl-4-methylbenzene-1,3-diamine
Also Known As: 2-N-tert-Butyl-2,4-toluenediamine, 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-, 3-N-tert-butyl-4-methylbenzene-1,3-diamine, J1.595.422A, 4-Methyl-N -tert-butyl-1,3-benzenediamine
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 106917-60-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)NC(C)(C)C |
| InChIKey | LQIOQITTZDEHKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- (CAS 106917-60-6), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: 3-N-tert-butyl-4-methylbenzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-
Property Insights of 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-. With a topological polar surface area (TPSA) of 38.1 Ų, 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- 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 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-?
The CAS number of 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- is 106917-60-6.
What is the molecular formula of 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-?
The molecular formula of 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- is C11H18N2.
What is the molecular weight of 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-?
The molecular weight of 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- is 178.15 g/mol.
Where can I buy 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-?
You can request a quote for 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, N3-(1,1-dimethylethyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.