Allylamine, N-methyl-3,3-diphenyl-, hydrochloride
TL;DR: Allylamine, N-methyl-3,3-diphenyl-, hydrochloride (CAS 21912-88-9) is a chemical compound with molecular formula C16H18ClN and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3,3-diphenylprop-2-en-1-amine;hydrochloride
Also Known As: 5,5-Diphenylbarbituric acid, BW 247, BW247, 1,1-Diphenyl-3-methylaminoprop-1-ene hydrochloride, Allylamine, N-methyl-3,3-diphenyl-, hydrochloride
| Molecular Formula | C16H18ClN |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.76 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.11276 |
| Heavy Atoms | 18 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 21912-88-9 |
|---|---|
| SMILES | CNCC=C(C1=CC=CC=C1)C2=CC=CC=C2.Cl |
| InChIKey | DFPFDNHWEJASOG-UHFFFAOYSA-N |
Product Overview
Allylamine, N-methyl-3,3-diphenyl-, hydrochloride (CAS 21912-88-9), with molecular formula C16H18ClN and molecular weight 259.11 g/mol. IUPAC: N-methyl-3,3-diphenylprop-2-en-1-amine;hydrochloride.
Chemical Property Profile of Allylamine, N-methyl-3,3-diphenyl-, hydrochloride
Property Insights of Allylamine, N-methyl-3,3-diphenyl-, hydrochloride
The XLogP value of 3.76 indicates that Allylamine, N-methyl-3,3-diphenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Allylamine, N-methyl-3,3-diphenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylamine, N-methyl-3,3-diphenyl-, hydrochloride has 2 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 Allylamine, N-methyl-3,3-diphenyl-, hydrochloride?
The CAS number of Allylamine, N-methyl-3,3-diphenyl-, hydrochloride is 21912-88-9.
What is the molecular formula of Allylamine, N-methyl-3,3-diphenyl-, hydrochloride?
The molecular formula of Allylamine, N-methyl-3,3-diphenyl-, hydrochloride is C16H18ClN.
What is the molecular weight of Allylamine, N-methyl-3,3-diphenyl-, hydrochloride?
The molecular weight of Allylamine, N-methyl-3,3-diphenyl-, hydrochloride is 259.11 g/mol.
Where can I buy Allylamine, N-methyl-3,3-diphenyl-, hydrochloride?
You can request a quote for Allylamine, N-methyl-3,3-diphenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylamine, N-methyl-3,3-diphenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Allylamine, N-methyl-3,3-diphenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.