5-Amino-1,1-dimethylhexyl acetate
TL;DR: 5-Amino-1,1-dimethylhexyl acetate (CAS 45077-13-2) is a chemical compound with molecular formula C10H21NO2 and molecular weight 187.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-amino-2-methylheptan-2-yl) acetate
Also Known As: 5-Amino-1,1-dimethylhexyl acetate, EINECS 256-187-6, (6-amino-2-methylheptan-2-yl) acetate, 5-amino-1,1-dimethylhexylacetate, 6-AMINO-2-METHYLHEPTAN-2-YL ACETATE
| Molecular Formula | C10H21NO2 |
|---|---|
| Molecular Weight | 187.16 g/mol |
| LogP | 1.8456 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.15723 |
| Heavy Atoms | 13 |
| Complexity | 164.30768 |
Chemical Identifiers
| CAS Number | 45077-13-2 |
|---|---|
| SMILES | CC(CCCC(C)(C)OC(=O)C)N |
Product Overview
5-Amino-1,1-dimethylhexyl acetate (CAS 45077-13-2), with molecular formula C10H21NO2 and molecular weight 187.16 g/mol. IUPAC: (6-amino-2-methylheptan-2-yl) acetate.
Chemical Property Profile of 5-Amino-1,1-dimethylhexyl acetate
Property Insights of 5-Amino-1,1-dimethylhexyl acetate
The XLogP value of 1.8456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1,1-dimethylhexyl acetate. With a topological polar surface area (TPSA) of 52.32 Ų, 5-Amino-1,1-dimethylhexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-1,1-dimethylhexyl acetate has 1 hydrogen bond donor(s) and 3 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 5-Amino-1,1-dimethylhexyl acetate?
The CAS number of 5-Amino-1,1-dimethylhexyl acetate is 45077-13-2.
What is the molecular formula of 5-Amino-1,1-dimethylhexyl acetate?
The molecular formula of 5-Amino-1,1-dimethylhexyl acetate is C10H21NO2.
What is the molecular weight of 5-Amino-1,1-dimethylhexyl acetate?
The molecular weight of 5-Amino-1,1-dimethylhexyl acetate is 187.16 g/mol.
Where can I buy 5-Amino-1,1-dimethylhexyl acetate?
You can request a quote for 5-Amino-1,1-dimethylhexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1,1-dimethylhexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1,1-dimethylhexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.