叔戊基叔丁胺
TL;DR: 叔戊基叔丁胺 (CAS 2085-66-7) is a chemical compound with molecular formula C9H21N and molecular weight 143.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔戊基叔丁胺
N-tert-butyl-2-methylbutan-2-amine
Also Known As: tert-Amyl-tert-butylamine, N-tert-butyl-2-methylbutan-2-amine, tert-Amyl-tert-butylamine, 96%, tert-butyl(2-methylbutan-2-yl)amine, 3-tert-Butylamino-tert-pentylamine
| Molecular Formula | C9H21N |
|---|---|
| Molecular Weight | 143.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.1674 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 2085-66-7 |
|---|---|
| SMILES | CCC(C)(C)NC(C)(C)C |
| InChIKey | KZOPSPQZLMCNPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔戊基叔丁胺 (CAS 2085-66-7), with molecular formula C9H21N and molecular weight 143.17 g/mol. IUPAC: N-tert-butyl-2-methylbutan-2-amine.
Chemical Property Profile of 叔戊基叔丁胺
Property Insights of 叔戊基叔丁胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔戊基叔丁胺. With a topological polar surface area (TPSA) of 12.0 Ų, 叔戊基叔丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔戊基叔丁胺 has 1 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 叔戊基叔丁胺?
The CAS number of 叔戊基叔丁胺 is 2085-66-7.
What is the molecular formula of 叔戊基叔丁胺?
The molecular formula of 叔戊基叔丁胺 is C9H21N.
What is the molecular weight of 叔戊基叔丁胺?
The molecular weight of 叔戊基叔丁胺 is 143.17 g/mol.
Where can I buy 叔戊基叔丁胺?
You can request a quote for 叔戊基叔丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔戊基叔丁胺?
Yes, KEHONG BIO provides custom synthesis services for 叔戊基叔丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.