Benzonitrile, 3-((propylamino)methyl)-
TL;DR: Benzonitrile, 3-((propylamino)methyl)- (CAS 90389-64-3) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(propylaminomethyl)benzonitrile
Also Known As: Benzylamine der, 3-(propylaminomethyl)benzonitrile, 3-((Propylamino)methyl)benzonitrile, Benzonitrile, 3-((propylamino)methyl)-, N-(3-cyanobenzyl)propylamine
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 90389-64-3 |
|---|---|
| SMILES | CCCNCC1=CC(=CC=C1)C#N |
| InChIKey | GRMACXDNKJBCRA-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 3-((propylamino)methyl)- (CAS 90389-64-3), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 3-(propylaminomethyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 3-((propylamino)methyl)-
Property Insights of Benzonitrile, 3-((propylamino)methyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-((propylamino)methyl)-. With a topological polar surface area (TPSA) of 35.8 Ų, Benzonitrile, 3-((propylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3-((propylamino)methyl)- has 1 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 Benzonitrile, 3-((propylamino)methyl)-?
The CAS number of Benzonitrile, 3-((propylamino)methyl)- is 90389-64-3.
What is the molecular formula of Benzonitrile, 3-((propylamino)methyl)-?
The molecular formula of Benzonitrile, 3-((propylamino)methyl)- is C11H14N2.
What is the molecular weight of Benzonitrile, 3-((propylamino)methyl)-?
The molecular weight of Benzonitrile, 3-((propylamino)methyl)- is 174.12 g/mol.
Where can I buy Benzonitrile, 3-((propylamino)methyl)-?
You can request a quote for Benzonitrile, 3-((propylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-((propylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-((propylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.