1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-
TL;DR: 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- (CAS 62018-90-0) is a chemical compound with molecular formula C7H16N2O3 and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxybutyl)-N-(3-hydroxypropyl)nitrous amide
Also Known As: 4-Hydroxybutyl-(3-hydroxypropyl)-N-nitrosamine, 4-((3-Hydroxypropyl)nitrosoamino)-1-butanol, 1-BUTANOL, 4-(N-(3-HYDROXYPROPYL)-N-NITROSOAMINO)-, 4-(N-(3-Hydroxypropyl)-N-nitrosoamino)-1-butanol, N-(3-Hydroxypropyl)-N-(4-hydroxybutyl)nitrosamine
| Molecular Formula | C7H16N2O3 |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.11609 |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 62018-90-0 |
|---|---|
| SMILES | C(CCO)CN(CCCO)N=O |
| InChIKey | QCYLJPGUDLXUOE-UHFFFAOYSA-N |
Product Overview
1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- (CAS 62018-90-0), with molecular formula C7H16N2O3 and molecular weight 176.12 g/mol. IUPAC: N-(4-hydroxybutyl)-N-(3-hydroxypropyl)nitrous amide.
Chemical Property Profile of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-
Property Insights of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-
The XLogP value of -0.1 indicates that 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-. Following Lipinski's Rule of Five, 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- 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
Frequently Asked Questions
What is the CAS number of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-?
The CAS number of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- is 62018-90-0.
What is the molecular formula of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-?
The molecular formula of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- is C7H16N2O3.
What is the molecular weight of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-?
The molecular weight of 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- is 176.12 g/mol.
Where can I buy 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-?
You can request a quote for 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 4-(N-(3-hydroxypropyl)-N-nitrosoamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.