Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)
TL;DR: Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) (CAS 68133-56-2) is a chemical compound with molecular formula C17H30N2O3S and molecular weight 342.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;4-methylbenzenesulfonic acid
Also Known As: ISOPHORONE DIAMINE, p-Toluene sulfonic acid isophoronediamine salt, 5-Amino-1,3,3-trimethylcyclohexanemethylamine toluene-p-sulphonate, 3-(aminomethyl)-3,5,5-trimethylcyclohexanamine 4-methylbenzenesulfonate(1:1), Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, 4-methylbenzenesulfonate
| Molecular Formula | C17H30N2O3S |
|---|---|
| Molecular Weight | 342.20 g/mol |
| LogP | 2.73 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.19772 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 68133-56-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CC(CC(C1)(C)CN)N)C |
| InChIKey | ZBVBXDSQFYHMPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) (CAS 68133-56-2), with molecular formula C17H30N2O3S and molecular weight 342.20 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;4-methylbenzenesulfonic acid.
Chemical Property Profile of Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)
Property Insights of Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?). The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?). Following Lipinski's Rule of Five, Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) has 3 hydrogen bond donor(s) and 5 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 Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)?
The CAS number of Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) is 68133-56-2.
What is the molecular formula of Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)?
The molecular formula of Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) is C17H30N2O3S.
What is the molecular weight of Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)?
The molecular weight of Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) is 342.20 g/mol.
Where can I buy Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)?
You can request a quote for Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.