N-甲基-N-亚硝基-1-丁胺
TL;DR: N-甲基-N-亚硝基-1-丁胺 (CAS 7068-83-9) is a chemical compound with molecular formula C5H12N2O and molecular weight 116.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基-N-亚硝基-1-丁胺
N-butyl-N-methylnitrous amide
Also Known As: Methylbutylnitrosamine, Butylmethylnitrosamine, NMBA, Nitrosomethyl-N-butylamine, MBNA
| Molecular Formula | C5H12N2O |
|---|---|
| Molecular Weight | 116.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.09496 |
| Heavy Atoms | 8 |
| Complexity | 65.0 |
| Boiling Point | 193.6 °C |
| Flash Point | 32.6 °C |
| Vapor Pressure | 0.21 [mmHg] |
Chemical Identifiers
| CAS Number | 7068-83-9 |
|---|---|
| SMILES | CCCCN(C)N=O |
| InChIKey | PKTSCJXWLVREKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基-N-亚硝基-1-丁胺 (CAS 7068-83-9), with molecular formula C5H12N2O and molecular weight 116.09 g/mol. IUPAC: N-butyl-N-methylnitrous amide.
Chemical Property Profile of N-甲基-N-亚硝基-1-丁胺
Property Insights of N-甲基-N-亚硝基-1-丁胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基-N-亚硝基-1-丁胺. With a topological polar surface area (TPSA) of 32.7 Ų, N-甲基-N-亚硝基-1-丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基-N-亚硝基-1-丁胺 has 0 hydrogen bond donor(s) and 3 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-甲基-N-亚硝基-1-丁胺?
The CAS number of N-甲基-N-亚硝基-1-丁胺 is 7068-83-9.
What is the molecular formula of N-甲基-N-亚硝基-1-丁胺?
The molecular formula of N-甲基-N-亚硝基-1-丁胺 is C5H12N2O.
What is the molecular weight of N-甲基-N-亚硝基-1-丁胺?
The molecular weight of N-甲基-N-亚硝基-1-丁胺 is 116.09 g/mol.
Where can I buy N-甲基-N-亚硝基-1-丁胺?
You can request a quote for N-甲基-N-亚硝基-1-丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基-N-亚硝基-1-丁胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基-N-亚硝基-1-丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.