tert-Octyl amine hydrochloride
TL;DR: tert-Octyl amine hydrochloride (CAS 116401-46-8) is a chemical compound with molecular formula C8H20ClN and molecular weight 165.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylheptan-2-amine;hydrochloride
Also Known As: tert-Octyl amine hydrochloride, NIOSH/MQ5010000, 1,1-Dimethylhexylamine hydrochloride, 2-Methyl-2-heptylamine hydrochloride, 2-methylheptan-2-amine hydrochloride
| Molecular Formula | C8H20ClN |
|---|---|
| Molecular Weight | 165.13 g/mol |
| LogP | 2.7258 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.12843 |
| Heavy Atoms | 10 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 116401-46-8 |
|---|---|
| SMILES | CCCCCC(C)(C)N.Cl |
| InChIKey | NKNVGZKOPRGARH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Octyl amine hydrochloride (CAS 116401-46-8), with molecular formula C8H20ClN and molecular weight 165.13 g/mol. IUPAC: 2-methylheptan-2-amine;hydrochloride.
Chemical Property Profile of tert-Octyl amine hydrochloride
Property Insights of tert-Octyl amine hydrochloride
The XLogP value of 2.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Octyl amine hydrochloride. With a topological polar surface area (TPSA) of 26.0 Ų, tert-Octyl amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Octyl amine hydrochloride has 2 hydrogen bond donor(s) and 1 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 tert-Octyl amine hydrochloride?
The CAS number of tert-Octyl amine hydrochloride is 116401-46-8.
What is the molecular formula of tert-Octyl amine hydrochloride?
The molecular formula of tert-Octyl amine hydrochloride is C8H20ClN.
What is the molecular weight of tert-Octyl amine hydrochloride?
The molecular weight of tert-Octyl amine hydrochloride is 165.13 g/mol.
Where can I buy tert-Octyl amine hydrochloride?
You can request a quote for tert-Octyl amine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Octyl amine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for tert-Octyl amine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.