N-Nitrosospermidine
TL;DR: N-Nitrosospermidine (CAS 78249-62-4) is a chemical compound with molecular formula C7H18N4O and molecular weight 174.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-aminobutyl)-N-(3-aminopropyl)nitrous amide
Also Known As: N-Nitrosospermidine, Spermine Impurity 4, N-(4-aminobutyl)-N-(3-aminopropyl)nitrous amide, Gadobutrol Nitroso Impurity 198, 1,4-Butanediamine, N-(3-aminopropyl)-N-nitroso-
| Molecular Formula | C7H18N4O |
|---|---|
| Molecular Weight | 174.15 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.14806 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 78249-62-4 |
|---|---|
| SMILES | C(CCN(CCCN)N=O)CN |
| InChIKey | GOYXLDVHFLHAHB-UHFFFAOYSA-N |
Product Overview
N-Nitrosospermidine (CAS 78249-62-4), with molecular formula C7H18N4O and molecular weight 174.15 g/mol. IUPAC: N-(4-aminobutyl)-N-(3-aminopropyl)nitrous amide.
Chemical Property Profile of N-Nitrosospermidine
Property Insights of N-Nitrosospermidine
The XLogP value of -0.6 indicates that N-Nitrosospermidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosospermidine. Following Lipinski's Rule of Five, N-Nitrosospermidine has 2 hydrogen bond donor(s) and 5 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-Nitrosospermidine?
The CAS number of N-Nitrosospermidine is 78249-62-4.
What is the molecular formula of N-Nitrosospermidine?
The molecular formula of N-Nitrosospermidine is C7H18N4O.
What is the molecular weight of N-Nitrosospermidine?
The molecular weight of N-Nitrosospermidine is 174.15 g/mol.
Where can I buy N-Nitrosospermidine?
You can request a quote for N-Nitrosospermidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosospermidine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosospermidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.