1,3-Cyclohexanediamine, 4-methyl-
TL;DR: 1,3-Cyclohexanediamine, 4-methyl- (CAS 13897-55-7) is a chemical compound with molecular formula C7H16N2 and molecular weight 128.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylcyclohexane-1,3-diamine
Also Known As: 4-Methylcyclohexane-1,3-diamine, 2,4-Diaminomethylcyclohexane, 4-Methyl-1,3-cyclohexanediamine, 1,3-Cyclohexanediamine, 4-methyl-, 2,4-Diamino-1-methylcyclohexane
| Molecular Formula | C7H16N2 |
|---|---|
| Molecular Weight | 128.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.13135 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 13897-55-7 |
|---|---|
| SMILES | CC1CCC(CC1N)N |
| InChIKey | QTKDDPSHNLZGRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanediamine, 4-methyl- (CAS 13897-55-7), with molecular formula C7H16N2 and molecular weight 128.13 g/mol. IUPAC: 4-methylcyclohexane-1,3-diamine.
Chemical Property Profile of 1,3-Cyclohexanediamine, 4-methyl-
Property Insights of 1,3-Cyclohexanediamine, 4-methyl-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanediamine, 4-methyl-. With a topological polar surface area (TPSA) of 52.0 Ų, 1,3-Cyclohexanediamine, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanediamine, 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-Cyclohexanediamine, 4-methyl-?
The CAS number of 1,3-Cyclohexanediamine, 4-methyl- is 13897-55-7.
What is the molecular formula of 1,3-Cyclohexanediamine, 4-methyl-?
The molecular formula of 1,3-Cyclohexanediamine, 4-methyl- is C7H16N2.
What is the molecular weight of 1,3-Cyclohexanediamine, 4-methyl-?
The molecular weight of 1,3-Cyclohexanediamine, 4-methyl- is 128.13 g/mol.
Where can I buy 1,3-Cyclohexanediamine, 4-methyl-?
You can request a quote for 1,3-Cyclohexanediamine, 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-Cyclohexanediamine, 4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanediamine, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.