Acetic acid, 1-(methylnitrosamino)butyl ester
TL;DR: Acetic acid, 1-(methylnitrosamino)butyl ester (CAS 74955-21-8) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[methyl(nitroso)amino]butyl acetate
Also Known As: MABN, 1-[methyl(nitroso)amino]butyl acetate, N-Methyl-N-(alpha-acetoxybutyl)nitrosamine, 1-(methyl-nitroso-amino)butyl acetate, ACETIC ACID, 1-(METHYLNITROSAMINO)BUTYL ESTER
Technical Specifications
| Molecular Formula | C7H14N2O3 |
| Molecular Weight | 174.10045 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.10045 Da |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
| SMILES | CCCC(N(C)N=O)OC(=O)C |
| InChIKey | VCGFSKNCUIRVDA-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, 1-(methylnitrosamino)butyl ester
Property Insights of Acetic acid, 1-(methylnitrosamino)butyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 1-(methylnitrosamino)butyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Acetic acid, 1-(methylnitrosamino)butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 1-(methylnitrosamino)butyl 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
What is the CAS number of Acetic acid, 1-(methylnitrosamino)butyl ester?
The CAS number of Acetic acid, 1-(methylnitrosamino)butyl ester is 74955-21-8.
What is the molecular formula of Acetic acid, 1-(methylnitrosamino)butyl ester?
The molecular formula of Acetic acid, 1-(methylnitrosamino)butyl ester is C7H14N2O3.
What is the molecular weight of Acetic acid, 1-(methylnitrosamino)butyl ester?
The molecular weight of Acetic acid, 1-(methylnitrosamino)butyl ester is 174.10045 g/mol.
Where can I buy Acetic acid, 1-(methylnitrosamino)butyl ester?
You can request a quote for Acetic acid, 1-(methylnitrosamino)butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, 1-(methylnitrosamino)butyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, 1-(methylnitrosamino)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.