N-(4-amino-1-butyl)-N-nitrosobenzamide
TL;DR: N-(4-amino-1-butyl)-N-nitrosobenzamide (CAS 171565-02-9) is a chemical compound with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-aminobutyl)-N-nitrosobenzamide;hydrochloride
Also Known As: N-Abno-benzamide, methyldiphenylsilylacetylene, N-(4-Amino-1-butyl)-N-nitrosobenzamide, N-(4-Aminobutyl)-N-nitrosobenzamide monohydrochloride, N-(4-aminobutyl)-N-nitrosobenzamide;hydrochloride
| Molecular Formula | C11H16ClN3O2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 1.9709 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.0931 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 171565-02-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N(CCCCN)N=O.Cl |
| InChIKey | JFDUTQANNMBZGH-UHFFFAOYSA-N |
Product Overview
N-(4-amino-1-butyl)-N-nitrosobenzamide (CAS 171565-02-9), with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol. IUPAC: N-(4-aminobutyl)-N-nitrosobenzamide;hydrochloride.
Chemical Property Profile of N-(4-amino-1-butyl)-N-nitrosobenzamide
Property Insights of N-(4-amino-1-butyl)-N-nitrosobenzamide
The XLogP value of 1.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-amino-1-butyl)-N-nitrosobenzamide. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-amino-1-butyl)-N-nitrosobenzamide. Following Lipinski's Rule of Five, N-(4-amino-1-butyl)-N-nitrosobenzamide has 2 hydrogen bond donor(s) and 4 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-amino-1-butyl)-N-nitrosobenzamide?
The CAS number of N-(4-amino-1-butyl)-N-nitrosobenzamide is 171565-02-9.
What is the molecular formula of N-(4-amino-1-butyl)-N-nitrosobenzamide?
The molecular formula of N-(4-amino-1-butyl)-N-nitrosobenzamide is C11H16ClN3O2.
What is the molecular weight of N-(4-amino-1-butyl)-N-nitrosobenzamide?
The molecular weight of N-(4-amino-1-butyl)-N-nitrosobenzamide is 257.09 g/mol.
Where can I buy N-(4-amino-1-butyl)-N-nitrosobenzamide?
You can request a quote for N-(4-amino-1-butyl)-N-nitrosobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-amino-1-butyl)-N-nitrosobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-amino-1-butyl)-N-nitrosobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.