Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
TL;DR: Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) (CAS 72088-84-7) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-benzyl-1-phenylmethanamine
Also Known As: Dibenzylamine acetate, DIBENZYLAMINE MONOACETATE, acetic acid; dibenzyl amine, N,N-Bis(phenylmethyl)acetamide, Benzenemethanamine, N-(phenylmethyl)-, acetate
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 3.0673 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 72088-84-7 |
|---|---|
| SMILES | CC(=O)O.C1=CC=C(C=C1)CNCC2=CC=CC=C2 |
| InChIKey | MTZKXRGZXUJKIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) (CAS 72088-84-7), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: acetic acid;N-benzyl-1-phenylmethanamine.
Chemical Property Profile of Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
Property Insights of Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
The XLogP value of 3.0673 indicates that Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) has 2 hydrogen bond donor(s) and 3 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 Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)?
The CAS number of Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) is 72088-84-7.
What is the molecular formula of Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)?
The molecular formula of Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) is C16H19NO2.
What is the molecular weight of Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)?
The molecular weight of Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) is 257.14 g/mol.
Where can I buy Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)?
You can request a quote for Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.