1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)
TL;DR: 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) (CAS 56986-35-7) is a chemical compound with molecular formula C10H20N2O3 and molecular weight 216.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butyl(nitroso)amino]butyl acetate
Also Known As: BABN, 1-Acetoxy-N-nitrosodibutylamine, 1-(Butylnitrosoamino)butyl acetate, 1-[butyl(nitroso)amino]butyl acetate, N-Butyl-N-(acetoxybutyl)-nitrosamine
| Molecular Formula | C10H20N2O3 |
|---|---|
| Molecular Weight | 216.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.1474 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 56986-35-7 |
|---|---|
| SMILES | CCCCN(C(CCC)OC(=O)C)N=O |
| InChIKey | VDPXEEMENDRIRO-UHFFFAOYSA-N |
Product Overview
1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) (CAS 56986-35-7), with molecular formula C10H20N2O3 and molecular weight 216.15 g/mol. IUPAC: 1-[butyl(nitroso)amino]butyl acetate.
Chemical Property Profile of 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)
Property Insights of 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester). With a topological polar surface area (TPSA) of 59.0 Ų, 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) has 0 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 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)?
The CAS number of 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) is 56986-35-7.
What is the molecular formula of 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)?
The molecular formula of 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) is C10H20N2O3.
What is the molecular weight of 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)?
The molecular weight of 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) is 216.15 g/mol.
Where can I buy 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)?
You can request a quote for 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 1-(butylnitrosoamino)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.