N-(4-methylbenzyl)butan-2-amine
TL;DR: N-(4-methylbenzyl)butan-2-amine (CAS 869942-01-8) 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-2-amine
Also Known As: N-(4-methylbenzyl)butan-2-amine, (Butan-2-yl)[(4-methylphenyl)methyl]amine, N-[(4-methylphenyl)methyl]butan-2-amine, N-(p-tolylmethyl)butan-2-amine, CHEMBRDG-BB 4024880
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 2.88312 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 237.80632 |
Chemical Identifiers
| CAS Number | 869942-01-8 |
|---|---|
| SMILES | CCC(C)NCC1=CC=C(C=C1)C |
Product Overview
N-(4-methylbenzyl)butan-2-amine (CAS 869942-01-8), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: N-[(4-methylphenyl)methyl]butan-2-amine.
Chemical Property Profile of N-(4-methylbenzyl)butan-2-amine
Property Insights of N-(4-methylbenzyl)butan-2-amine
The XLogP value of 2.88312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methylbenzyl)butan-2-amine. With a topological polar surface area (TPSA) of 12.03 Ų, N-(4-methylbenzyl)butan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylbenzyl)butan-2-amine 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 N-(4-methylbenzyl)butan-2-amine?
The CAS number of N-(4-methylbenzyl)butan-2-amine is 869942-01-8.
What is the molecular formula of N-(4-methylbenzyl)butan-2-amine?
The molecular formula of N-(4-methylbenzyl)butan-2-amine is C12H19N.
What is the molecular weight of N-(4-methylbenzyl)butan-2-amine?
The molecular weight of N-(4-methylbenzyl)butan-2-amine is 177.15 g/mol.
Where can I buy N-(4-methylbenzyl)butan-2-amine?
You can request a quote for N-(4-methylbenzyl)butan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylbenzyl)butan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylbenzyl)butan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.