3-Heptanone, 4-amino-6-methyl-, hydrochloride
TL;DR: 3-Heptanone, 4-amino-6-methyl-, hydrochloride (CAS 423-56-3) is a chemical compound with molecular formula CCC(=O)C(CC(C)C)N.Cl and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-methylheptan-3-one;hydrochloride
Also Known As: 3-Heptanone, 4-amino-6-methyl-, hydrochloride, 4-amino-6-methylheptan-3-one,hydrochloride, 3-Heptanone,4-amino-6-methyl-,hydrochloride, 4-Amino-6-methyl-heptanone-(3)-hydrochloride, 4-amino-6-methylheptan-3-one hydrochloride
| Molecular Formula | CCC(=O)C(CC(C)C)N.Cl |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 1.7607 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.1077 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 423-56-3 |
|---|---|
| SMILES | CCC(=O)C(CC(C)C)N.Cl |
| InChIKey | VHULXZLDDFFPJH-UHFFFAOYSA-N |
Product Overview
3-Heptanone, 4-amino-6-methyl-, hydrochloride (CAS 423-56-3), with molecular formula CCC(=O)C(CC(C)C)N.Cl and molecular weight 179.11 g/mol. IUPAC: 4-amino-6-methylheptan-3-one;hydrochloride.
Chemical Property Profile of 3-Heptanone, 4-amino-6-methyl-, hydrochloride
Property Insights of 3-Heptanone, 4-amino-6-methyl-, hydrochloride
The XLogP value of 1.7607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptanone, 4-amino-6-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Heptanone, 4-amino-6-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptanone, 4-amino-6-methyl-, hydrochloride 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 3-Heptanone, 4-amino-6-methyl-, hydrochloride?
The CAS number of 3-Heptanone, 4-amino-6-methyl-, hydrochloride is 423-56-3.
What is the molecular formula of 3-Heptanone, 4-amino-6-methyl-, hydrochloride?
The molecular formula of 3-Heptanone, 4-amino-6-methyl-, hydrochloride is CCC(=O)C(CC(C)C)N.Cl.
What is the molecular weight of 3-Heptanone, 4-amino-6-methyl-, hydrochloride?
The molecular weight of 3-Heptanone, 4-amino-6-methyl-, hydrochloride is 179.11 g/mol.
Where can I buy 3-Heptanone, 4-amino-6-methyl-, hydrochloride?
You can request a quote for 3-Heptanone, 4-amino-6-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptanone, 4-amino-6-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptanone, 4-amino-6-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.