P-Methylbenzyl-butylamine
TL;DR: P-Methylbenzyl-butylamine (CAS 16238-84-9) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]butan-1-amine
Also Known As: n-(4-methylbenzyl)butan-1-amine, Butyl[(4-methylphenyl)methyl]amine, N-butyl-p-methylbenzylamine, N-Butyl-4-methylbenzylamine, N-(p-methylbenzyl)butylamine
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 16238-84-9 |
|---|---|
| SMILES | CCCCNCC1=CC=C(C=C1)C |
| InChIKey | HJAGHNRKHZQVEK-UHFFFAOYSA-N |
Product Overview
P-Methylbenzyl-butylamine (CAS 16238-84-9), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: N-[(4-methylphenyl)methyl]butan-1-amine.
Chemical Property Profile of P-Methylbenzyl-butylamine
Property Insights of P-Methylbenzyl-butylamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P-Methylbenzyl-butylamine. With a topological polar surface area (TPSA) of 12.0 Ų, P-Methylbenzyl-butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, P-Methylbenzyl-butylamine 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 P-Methylbenzyl-butylamine?
The CAS number of P-Methylbenzyl-butylamine is 16238-84-9.
What is the molecular formula of P-Methylbenzyl-butylamine?
The molecular formula of P-Methylbenzyl-butylamine is C12H19N.
What is the molecular weight of P-Methylbenzyl-butylamine?
The molecular weight of P-Methylbenzyl-butylamine is 177.15 g/mol.
Where can I buy P-Methylbenzyl-butylamine?
You can request a quote for P-Methylbenzyl-butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-Methylbenzyl-butylamine?
Yes, KEHONG BIO provides custom synthesis services for P-Methylbenzyl-butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.