3-(Dimethylaminomethyl)benzonitrile
TL;DR: 3-(Dimethylaminomethyl)benzonitrile (CAS 42967-37-3) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]benzonitrile
Also Known As: 3-[(Dimethylamino)methyl]benzonitrile, 3-(dimethylaminomethyl)benzonitrile, Benzonitrile, 3-[(dimethylamino)methyl]-, 3-dimethylaminomethyl-benzonitrile, 3-Dimethylaminomethyl benzonitrile
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 1.61988 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 296.95206 |
Chemical Identifiers
| CAS Number | 42967-37-3 |
|---|---|
| SMILES | CN(C)CC1=CC(=CC=C1)C#N |
Product Overview
3-(Dimethylaminomethyl)benzonitrile (CAS 42967-37-3), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 3-[(dimethylamino)methyl]benzonitrile.
Chemical Property Profile of 3-(Dimethylaminomethyl)benzonitrile
Property Insights of 3-(Dimethylaminomethyl)benzonitrile
The XLogP value of 1.61988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylaminomethyl)benzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 3-(Dimethylaminomethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylaminomethyl)benzonitrile 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-(Dimethylaminomethyl)benzonitrile?
The CAS number of 3-(Dimethylaminomethyl)benzonitrile is 42967-37-3.
What is the molecular formula of 3-(Dimethylaminomethyl)benzonitrile?
The molecular formula of 3-(Dimethylaminomethyl)benzonitrile is C10H12N2.
What is the molecular weight of 3-(Dimethylaminomethyl)benzonitrile?
The molecular weight of 3-(Dimethylaminomethyl)benzonitrile is 160.10 g/mol.
Where can I buy 3-(Dimethylaminomethyl)benzonitrile?
You can request a quote for 3-(Dimethylaminomethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylaminomethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylaminomethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.