4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol
TL;DR: 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol (CAS 63934-41-8) is a chemical compound with molecular formula C7H16N2O3 and molecular weight 176.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-hydroxybutyl)-N-(2-hydroxypropyl)nitrous amide
Also Known As: 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol, 4-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine, N-(4-hydroxybutyl)-N-(2-hydroxypropyl)nitrous amide, 1-BUTANOL, 4-(N-(2-HYDROXYPROPYL)-N-NITROSOAMINO)-, 4-[(2-hydroxypropyl)(nitroso)amino]butan-1-ol
Technical Specifications
| Molecular Formula | C7H16N2O3 |
| Molecular Weight | 176.11609 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.11609 Da |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
| SMILES | CC(CN(CCCCO)N=O)O |
| InChIKey | JDASGOBKLOSKDM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol
Property Insights of 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol. Following Lipinski's Rule of Five, 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol has 2 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 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol?
The CAS number of 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol is 63934-41-8.
What is the molecular formula of 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol?
The molecular formula of 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol is C7H16N2O3.
What is the molecular weight of 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol?
The molecular weight of 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol is 176.11609 g/mol.
Where can I buy 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol?
You can request a quote for 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol?
Yes, CoreyChem provides custom synthesis services for 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.