N-亚硝基二丁胺
TL;DR: N-亚硝基二丁胺 (CAS 924-16-3) is a chemical compound with molecular formula C8H18N2O and molecular weight 158.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-亚硝基二丁胺
N,N-dibutylnitrous amide
Also Known As: N-Nitrosodibutylamine, Dibutylnitrosamine, Nitrosodibutylamine, NDBA, Dibutylnitrosoamine
| Molecular Formula | C8H18N2O |
|---|---|
| Molecular Weight | 158.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.1419 |
| Heavy Atoms | 11 |
| Complexity | 88.0 |
| Boiling Point | 235 °C |
| Density | 0.9009 at 20 °C |
| Solubility | In water, 1.27X10+3 mg/L at 24 °C |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | 1.4475 at 20 °C; max absorption (water): 233 nm (epsilon= 441.7, 1%, 1 cm), 347 nm (epsilon= 5.6, 1%, 1 cm) |
Chemical Identifiers
| CAS Number | 924-16-3 |
|---|---|
| SMILES | CCCCN(CCCC)N=O |
| InChIKey | YGJHZCLPZAZIHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-亚硝基二丁胺 (CAS 924-16-3), with molecular formula C8H18N2O and molecular weight 158.14 g/mol. IUPAC: N,N-dibutylnitrous amide.
Chemical Property Profile of N-亚硝基二丁胺
Property Insights of N-亚硝基二丁胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-亚硝基二丁胺. With a topological polar surface area (TPSA) of 32.7 Ų, N-亚硝基二丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-亚硝基二丁胺 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-亚硝基二丁胺?
The CAS number of N-亚硝基二丁胺 is 924-16-3.
What is the molecular formula of N-亚硝基二丁胺?
The molecular formula of N-亚硝基二丁胺 is C8H18N2O.
What is the molecular weight of N-亚硝基二丁胺?
The molecular weight of N-亚硝基二丁胺 is 158.14 g/mol.
Where can I buy N-亚硝基二丁胺?
You can request a quote for N-亚硝基二丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-亚硝基二丁胺?
Yes, KEHONG BIO provides custom synthesis services for N-亚硝基二丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.