![3-[(甲氨基)甲基]苄腈 structure](/static/products/903/90389-62-1.png)
3-[(甲氨基)甲基]苄腈
TL;DR: 3-[(甲氨基)甲基]苄腈 (CAS 90389-62-1) 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.
3-[(甲氨基)甲基]苄腈
3-(methylaminomethyl)benzonitrile
Also Known As: 3-((Methylamino)methyl)benzonitrile, 3-(methylaminomethyl)benzonitrile, 3-[(methylamino)methyl]benzonitrile, Benzylamine der, 3- benzonitrile
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 90389-62-1 |
|---|---|
| SMILES | CNCC1=CC(=CC=C1)C#N |
| InChIKey | KBRCDVSFCMVQSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(甲氨基)甲基]苄腈 (CAS 90389-62-1), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 3-(methylaminomethyl)benzonitrile.
Chemical Property Profile of 3-[(甲氨基)甲基]苄腈
Property Insights of 3-[(甲氨基)甲基]苄腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(甲氨基)甲基]苄腈. With a topological polar surface area (TPSA) of 35.8 Ų, 3-[(甲氨基)甲基]苄腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(甲氨基)甲基]苄腈 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 3-[(甲氨基)甲基]苄腈?
The CAS number of 3-[(甲氨基)甲基]苄腈 is 90389-62-1.
What is the molecular formula of 3-[(甲氨基)甲基]苄腈?
The molecular formula of 3-[(甲氨基)甲基]苄腈 is C9H10N2.
What is the molecular weight of 3-[(甲氨基)甲基]苄腈?
The molecular weight of 3-[(甲氨基)甲基]苄腈 is 146.08 g/mol.
Where can I buy 3-[(甲氨基)甲基]苄腈?
You can request a quote for 3-[(甲氨基)甲基]苄腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(甲氨基)甲基]苄腈?
Yes, KEHONG BIO provides custom synthesis services for 3-[(甲氨基)甲基]苄腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.