N,N,Alpha-trimethylbenzenepropanamine
TL;DR: N,N,Alpha-trimethylbenzenepropanamine (CAS 104828-64-0) 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,N-dimethyl-4-phenylbutan-2-amine
Also Known As: dimethamphproamine, 4-Phenyl-2-butyldimethylamine, N,N-Dimethyl-4-phenyl-2-butanamine, 1-phenyl-3-Dimethylaminobutane, Benzenepropanamine, N,N,alpha-trimethyl-
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 104828-64-0 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)N(C)C |
| InChIKey | VKMZBALDHYTNED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N,Alpha-trimethylbenzenepropanamine (CAS 104828-64-0), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: N,N-dimethyl-4-phenylbutan-2-amine.
Chemical Property Profile of N,N,Alpha-trimethylbenzenepropanamine
Property Insights of N,N,Alpha-trimethylbenzenepropanamine
The XLogP value of 3.0 indicates that N,N,Alpha-trimethylbenzenepropanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N,Alpha-trimethylbenzenepropanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,Alpha-trimethylbenzenepropanamine has 0 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,N,Alpha-trimethylbenzenepropanamine?
The CAS number of N,N,Alpha-trimethylbenzenepropanamine is 104828-64-0.
What is the molecular formula of N,N,Alpha-trimethylbenzenepropanamine?
The molecular formula of N,N,Alpha-trimethylbenzenepropanamine is C12H19N.
What is the molecular weight of N,N,Alpha-trimethylbenzenepropanamine?
The molecular weight of N,N,Alpha-trimethylbenzenepropanamine is 177.15 g/mol.
Where can I buy N,N,Alpha-trimethylbenzenepropanamine?
You can request a quote for N,N,Alpha-trimethylbenzenepropanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,Alpha-trimethylbenzenepropanamine?
Yes, KEHONG BIO provides custom synthesis services for N,N,Alpha-trimethylbenzenepropanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.