Propanenitrile, 3-((3-pyridinylmethyl)amino)-
TL;DR: Propanenitrile, 3-((3-pyridinylmethyl)amino)- (CAS 33611-48-2) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-3-ylmethylamino)propanenitrile
Also Known As: 3-(3-Pyridylmethylamino)propionitrile, 3-(3-Pyridylmethylamino)propanenitrile, 3-[(3-Pyridinylmethyl)amino]propanenitrile, 3-((Pyridin-3-ylmethyl)amino)propanenitrile, 3-[(pyridin-3-ylmethyl)amino]propanenitrile
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 33611-48-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNCCC#N |
| InChIKey | QLXCYILNQJKHLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-((3-pyridinylmethyl)amino)- (CAS 33611-48-2), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 3-(pyridin-3-ylmethylamino)propanenitrile.
Chemical Property Profile of Propanenitrile, 3-((3-pyridinylmethyl)amino)-
Property Insights of Propanenitrile, 3-((3-pyridinylmethyl)amino)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((3-pyridinylmethyl)amino)-. With a topological polar surface area (TPSA) of 48.7 Ų, Propanenitrile, 3-((3-pyridinylmethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-((3-pyridinylmethyl)amino)- has 1 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 Propanenitrile, 3-((3-pyridinylmethyl)amino)-?
The CAS number of Propanenitrile, 3-((3-pyridinylmethyl)amino)- is 33611-48-2.
What is the molecular formula of Propanenitrile, 3-((3-pyridinylmethyl)amino)-?
The molecular formula of Propanenitrile, 3-((3-pyridinylmethyl)amino)- is C9H11N3.
What is the molecular weight of Propanenitrile, 3-((3-pyridinylmethyl)amino)-?
The molecular weight of Propanenitrile, 3-((3-pyridinylmethyl)amino)- is 161.10 g/mol.
Where can I buy Propanenitrile, 3-((3-pyridinylmethyl)amino)-?
You can request a quote for Propanenitrile, 3-((3-pyridinylmethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-((3-pyridinylmethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((3-pyridinylmethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.