Isophoronediamine, trans-
TL;DR: Isophoronediamine, trans- (CAS 71954-29-5) is a chemical compound with molecular formula C10H22N2 and molecular weight 170.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3R)-3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
Also Known As: trans-Isophoronediamine, Isophoronediamine, Isophoronediamine, trans-, Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, trans-, Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, (1R,5R)-rel-
| Molecular Formula | C10H22N2 |
|---|---|
| Molecular Weight | 170.18 g/mol |
| LogP | 1.4888 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.1783 |
| Heavy Atoms | 12 |
| Complexity | 165.22151 |
Chemical Identifiers
| CAS Number | 71954-29-5 |
|---|---|
| SMILES | C[C@@]1(C[C@@H](CC(C1)(C)C)N)CN |
Product Overview
Isophoronediamine, trans- (CAS 71954-29-5), with molecular formula C10H22N2 and molecular weight 170.18 g/mol. IUPAC: trans-(1R,3R)-3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine.
Chemical Property Profile of Isophoronediamine, trans-
Property Insights of Isophoronediamine, trans-
The XLogP value of 1.4888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophoronediamine, trans-. With a topological polar surface area (TPSA) of 52.04 Ų, Isophoronediamine, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophoronediamine, trans- 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 Isophoronediamine, trans-?
The CAS number of Isophoronediamine, trans- is 71954-29-5.
What is the molecular formula of Isophoronediamine, trans-?
The molecular formula of Isophoronediamine, trans- is C10H22N2.
What is the molecular weight of Isophoronediamine, trans-?
The molecular weight of Isophoronediamine, trans- is 170.18 g/mol.
Where can I buy Isophoronediamine, trans-?
You can request a quote for Isophoronediamine, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophoronediamine, trans-?
Yes, KEHONG BIO provides custom synthesis services for Isophoronediamine, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.