硝酸正丙酯
TL;DR: 硝酸正丙酯 (CAS 627-13-4) is a chemical compound with molecular formula C3H7NO3 and molecular weight 105.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸正丙酯
propyl nitrate
Also Known As: Propyl nitrate, N-PROPYL NITRATE, Monopropyl nitrate, Propylnitrat, Nitric acid, propyl ester
| Molecular Formula | C3H7NO3 |
|---|---|
| Molecular Weight | 105.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 105.042595 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
| Melting Point | less than -101.1 °C |
| Boiling Point | 110.6 °C at 760 mmHg |
| Density | 1.06 |
| Solubility | Slight (NIOSH, 2024) |
| Flash Point | 20.0 °C |
| Vapor Pressure | 18 mmHg |
| Refractive Index | = 1.3979 @ 20 °C |
Chemical Identifiers
| CAS Number | 627-13-4 |
|---|---|
| SMILES | CCCO[N+](=O)[O-] |
| InChIKey | JNTOKFNBDFMTIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸正丙酯 (CAS 627-13-4), with molecular formula C3H7NO3 and molecular weight 105.04 g/mol. IUPAC: propyl nitrate.
Chemical Property Profile of 硝酸正丙酯
Property Insights of 硝酸正丙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸正丙酯. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸正丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸正丙酯 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 硝酸正丙酯?
The CAS number of 硝酸正丙酯 is 627-13-4.
What is the molecular formula of 硝酸正丙酯?
The molecular formula of 硝酸正丙酯 is C3H7NO3.
What is the molecular weight of 硝酸正丙酯?
The molecular weight of 硝酸正丙酯 is 105.04 g/mol.
Where can I buy 硝酸正丙酯?
You can request a quote for 硝酸正丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸正丙酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸正丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.