3-亚氨基-3-苯基丙腈
TL;DR: 3-亚氨基-3-苯基丙腈 (CAS 16187-90-9) is a chemical compound with molecular formula C9H8N2 and molecular weight 144.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-亚氨基-3-苯基丙腈
3-imino-3-phenylpropanenitrile
Also Known As: 3-Imino-3-phenylpropionitrile, 3-Imino-3-phenylpropanenitrile, Acetonitrile, benzimidoyl-, Benzenepropanenitrile, beta-imino-, beta-Iminobenzenepropanenitrile
| Molecular Formula | C9H8N2 |
|---|---|
| Molecular Weight | 144.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.06874 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 16187-90-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=N)CC#N |
| InChIKey | MKPPZAOYAOGVLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-亚氨基-3-苯基丙腈 (CAS 16187-90-9), with molecular formula C9H8N2 and molecular weight 144.07 g/mol. IUPAC: 3-imino-3-phenylpropanenitrile.
Chemical Property Profile of 3-亚氨基-3-苯基丙腈
Property Insights of 3-亚氨基-3-苯基丙腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-亚氨基-3-苯基丙腈. With a topological polar surface area (TPSA) of 47.6 Ų, 3-亚氨基-3-苯基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-亚氨基-3-苯基丙腈 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-亚氨基-3-苯基丙腈?
The CAS number of 3-亚氨基-3-苯基丙腈 is 16187-90-9.
What is the molecular formula of 3-亚氨基-3-苯基丙腈?
The molecular formula of 3-亚氨基-3-苯基丙腈 is C9H8N2.
What is the molecular weight of 3-亚氨基-3-苯基丙腈?
The molecular weight of 3-亚氨基-3-苯基丙腈 is 144.07 g/mol.
Where can I buy 3-亚氨基-3-苯基丙腈?
You can request a quote for 3-亚氨基-3-苯基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-亚氨基-3-苯基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-亚氨基-3-苯基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.