n-Benzylacetamidine
TL;DR: n-Benzylacetamidine (CAS 69981-57-3) is a chemical compound with molecular formula C9H12N2 and molecular weight 148.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzylethanimidamide
Also Known As: n-benzylacetamidine, N-benzylethanimidamide, N'-benzylethanimidamide, N-benzylacetimidamide, N1-Benzylacetamidine
| Molecular Formula | C9H12N2 |
|---|---|
| Molecular Weight | 148.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.10005 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 69981-57-3 |
|---|---|
| SMILES | CC(=NCC1=CC=CC=C1)N |
| InChIKey | TVGAZFIPLVKCJM-UHFFFAOYSA-N |
Product Overview
n-Benzylacetamidine (CAS 69981-57-3), with molecular formula C9H12N2 and molecular weight 148.10 g/mol. IUPAC: N'-benzylethanimidamide.
Chemical Property Profile of n-Benzylacetamidine
Property Insights of n-Benzylacetamidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Benzylacetamidine. With a topological polar surface area (TPSA) of 38.4 Ų, n-Benzylacetamidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Benzylacetamidine 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-Benzylacetamidine?
The CAS number of n-Benzylacetamidine is 69981-57-3.
What is the molecular formula of n-Benzylacetamidine?
The molecular formula of n-Benzylacetamidine is C9H12N2.
What is the molecular weight of n-Benzylacetamidine?
The molecular weight of n-Benzylacetamidine is 148.10 g/mol.
Where can I buy n-Benzylacetamidine?
You can request a quote for n-Benzylacetamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Benzylacetamidine?
Yes, KEHONG BIO provides custom synthesis services for n-Benzylacetamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.