3-苯胺基丙腈
TL;DR: 3-苯胺基丙腈 (CAS 1075-76-9) 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.
3-苯胺基丙腈
3-anilinopropanenitrile
Also Known As: 3-Anilinopropionitrile, 3-(phenylamino)propanenitrile, 3-Anilinopropanenitrile, N-(2-Cyanoethyl)aniline, N-(Cyanoethyl)aniline
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 1075-76-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCC#N |
| InChIKey | FENJKTQEFUPECW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯胺基丙腈 (CAS 1075-76-9), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 3-anilinopropanenitrile.
Chemical Property Profile of 3-苯胺基丙腈
Property Insights of 3-苯胺基丙腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯胺基丙腈. With a topological polar surface area (TPSA) of 35.8 Ų, 3-苯胺基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯胺基丙腈 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-苯胺基丙腈?
The CAS number of 3-苯胺基丙腈 is 1075-76-9.
What is the molecular formula of 3-苯胺基丙腈?
The molecular formula of 3-苯胺基丙腈 is C9H10N2.
What is the molecular weight of 3-苯胺基丙腈?
The molecular weight of 3-苯胺基丙腈 is 146.08 g/mol.
Where can I buy 3-苯胺基丙腈?
You can request a quote for 3-苯胺基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯胺基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-苯胺基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.