4-二甲氨基苯甲腈
TL;DR: 4-二甲氨基苯甲腈 (CAS 1197-19-9) is a chemical compound with molecular formula C9H10N2 and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-二甲氨基苯甲腈
4-(dimethylamino)benzonitrile
Also Known As: 4-(Dimethylamino)benzonitrile, 4-Dimethylaminobenzonitrile, p-Dimethylaminobenzonitrile, Benzonitrile, 4-(dimethylamino)-, 4-Cyano-N,N-dimethylaniline
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| Vapor Pressure | 0.02 [mmHg] |
Chemical Identifiers
| CAS Number | 1197-19-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C#N |
| InChIKey | JYMNQRQQBJIMCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-二甲氨基苯甲腈 (CAS 1197-19-9), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 4-(dimethylamino)benzonitrile.
Chemical Property Profile of 4-二甲氨基苯甲腈
Property Insights of 4-二甲氨基苯甲腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-二甲氨基苯甲腈. With a topological polar surface area (TPSA) of 27.0 Ų, 4-二甲氨基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-二甲氨基苯甲腈 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 4-二甲氨基苯甲腈?
The CAS number of 4-二甲氨基苯甲腈 is 1197-19-9.
What is the molecular formula of 4-二甲氨基苯甲腈?
The molecular formula of 4-二甲氨基苯甲腈 is C9H10N2.
What is the molecular weight of 4-二甲氨基苯甲腈?
The molecular weight of 4-二甲氨基苯甲腈 is 146.08 g/mol.
Where can I buy 4-二甲氨基苯甲腈?
You can request a quote for 4-二甲氨基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-二甲氨基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-二甲氨基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.