Methanol, (butylnitrosoamino)-
TL;DR: Methanol, (butylnitrosoamino)- (CAS 76671-53-9) is a chemical compound with molecular formula C5H12N2O2 and molecular weight 132.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(hydroxymethyl)nitrous amide
Also Known As: (Butylnitrosoamino)methanol, Methanol, (butylnitrosoamino)-, N-Nitroso-N-(hydroxymethyl)butylamine, N-butyl-N-(hydroxymethyl)nitrosamine, N-butyl-N-(hydroxymethyl)nitrous amide
| Molecular Formula | C5H12N2O2 |
|---|---|
| Molecular Weight | 132.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.08987 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 76671-53-9 |
|---|---|
| SMILES | CCCCN(CO)N=O |
| InChIKey | KVLYTMSVYHQUOX-UHFFFAOYSA-N |
Product Overview
Methanol, (butylnitrosoamino)- (CAS 76671-53-9), with molecular formula C5H12N2O2 and molecular weight 132.09 g/mol. IUPAC: N-butyl-N-(hydroxymethyl)nitrous amide.
Chemical Property Profile of Methanol, (butylnitrosoamino)-
Property Insights of Methanol, (butylnitrosoamino)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanol, (butylnitrosoamino)-. With a topological polar surface area (TPSA) of 52.9 Ų, Methanol, (butylnitrosoamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanol, (butylnitrosoamino)- has 1 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 Methanol, (butylnitrosoamino)-?
The CAS number of Methanol, (butylnitrosoamino)- is 76671-53-9.
What is the molecular formula of Methanol, (butylnitrosoamino)-?
The molecular formula of Methanol, (butylnitrosoamino)- is C5H12N2O2.
What is the molecular weight of Methanol, (butylnitrosoamino)-?
The molecular weight of Methanol, (butylnitrosoamino)- is 132.09 g/mol.
Where can I buy Methanol, (butylnitrosoamino)-?
You can request a quote for Methanol, (butylnitrosoamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanol, (butylnitrosoamino)-?
Yes, KEHONG BIO provides custom synthesis services for Methanol, (butylnitrosoamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.