3-全氢氮杂卓-1-基丙腈
TL;DR: 3-全氢氮杂卓-1-基丙腈 (CAS 937-51-9) is a chemical compound with molecular formula C9H16N2 and molecular weight 152.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-全氢氮杂卓-1-基丙腈
3-(azepan-1-yl)propanenitrile
Also Known As: 3-(azepan-1-yl)propanenitrile, 3-azepan-1-ylpropanenitrile, 3-(Hexamethyleneimino)propionitrile, 3-HEXAMETHYLENEIMINOPROPIONITRILE, 3-Perhydroazepin-1-ylpropiononitrile
| Molecular Formula | C9H16N2 |
|---|---|
| Molecular Weight | 152.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.13135 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 937-51-9 |
|---|---|
| SMILES | C1CCCN(CC1)CCC#N |
| InChIKey | GDQLRKPUJAWNNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-全氢氮杂卓-1-基丙腈 (CAS 937-51-9), with molecular formula C9H16N2 and molecular weight 152.13 g/mol. IUPAC: 3-(azepan-1-yl)propanenitrile.
Chemical Property Profile of 3-全氢氮杂卓-1-基丙腈
Property Insights of 3-全氢氮杂卓-1-基丙腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-全氢氮杂卓-1-基丙腈. With a topological polar surface area (TPSA) of 27.0 Ų, 3-全氢氮杂卓-1-基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-全氢氮杂卓-1-基丙腈 has 0 hydrogen bond donor(s) and 2 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 3-全氢氮杂卓-1-基丙腈?
The CAS number of 3-全氢氮杂卓-1-基丙腈 is 937-51-9.
What is the molecular formula of 3-全氢氮杂卓-1-基丙腈?
The molecular formula of 3-全氢氮杂卓-1-基丙腈 is C9H16N2.
What is the molecular weight of 3-全氢氮杂卓-1-基丙腈?
The molecular weight of 3-全氢氮杂卓-1-基丙腈 is 152.13 g/mol.
Where can I buy 3-全氢氮杂卓-1-基丙腈?
You can request a quote for 3-全氢氮杂卓-1-基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-全氢氮杂卓-1-基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-全氢氮杂卓-1-基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.