Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate
TL;DR: Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate (CAS 63991-63-9) is a chemical compound with molecular formula C16H29NO4S and molecular weight 331.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl-[(4-propan-2-ylphenyl)methyl]azanium;hydrogen sulfate
Also Known As: p-Isopropylbenzylhexylamine sulfate, Hexylamine, N-(p-isopropylbenzyl)-, hydrogen sulfate, BENZYLAMINE, N-HEXYL-p-ISOPROPYL-, HYDROGEN SULFATE, hexyl-[(4-propan-2-ylphenyl)methyl]azanium; hydrogen sulfate, Benzenemethanamine, N-hexyl-4-(1-methylethyl)-, sulfate (1:1)
| Molecular Formula | C16H29NO4S |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 2.46 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.18173 |
| Heavy Atoms | 22 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 63991-63-9 |
|---|---|
| SMILES | CCCCCC[NH2+]CC1=CC=C(C=C1)C(C)C.OS(=O)(=O)[O-] |
| InChIKey | UULVREWTEAQBQF-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate (CAS 63991-63-9), with molecular formula C16H29NO4S and molecular weight 331.18 g/mol. IUPAC: hexyl-[(4-propan-2-ylphenyl)methyl]azanium;hydrogen sulfate.
Chemical Property Profile of Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate
Property Insights of Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate
The XLogP value of 2.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate. Following Lipinski's Rule of Five, Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate has 2 hydrogen bond donor(s) and 4 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 Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate?
The CAS number of Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate is 63991-63-9.
What is the molecular formula of Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate?
The molecular formula of Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate is C16H29NO4S.
What is the molecular weight of Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate?
The molecular weight of Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate is 331.18 g/mol.
Where can I buy Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate?
You can request a quote for Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.