3-环己氨基丙腈
TL;DR: 3-环己氨基丙腈 (CAS 702-03-4) is a chemical compound with molecular formula C9H16N2 and molecular weight 152.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-环己氨基丙腈
3-(cyclohexylamino)propanenitrile
Also Known As: 3-(cyclohexylamino)propanenitrile, 3-(Cyclohexylamino)propionitrile, 3-Cyclohexylaminopropiononitrile, N-(2-Cyanoethyl)cyclohexylamine, 3- PROPIONITRILE
| Molecular Formula | C9H16N2 |
|---|---|
| Molecular Weight | 152.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.13135 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 702-03-4 |
|---|---|
| SMILES | C1CCC(CC1)NCCC#N |
| InChIKey | OLUJYRYCQHJDKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-环己氨基丙腈 (CAS 702-03-4), with molecular formula C9H16N2 and molecular weight 152.13 g/mol. IUPAC: 3-(cyclohexylamino)propanenitrile.
Chemical Property Profile of 3-环己氨基丙腈
Property Insights of 3-环己氨基丙腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-环己氨基丙腈. With a topological polar surface area (TPSA) of 35.8 Ų, 3-环己氨基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-环己氨基丙腈 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-环己氨基丙腈?
The CAS number of 3-环己氨基丙腈 is 702-03-4.
What is the molecular formula of 3-环己氨基丙腈?
The molecular formula of 3-环己氨基丙腈 is C9H16N2.
What is the molecular weight of 3-环己氨基丙腈?
The molecular weight of 3-环己氨基丙腈 is 152.13 g/mol.
Where can I buy 3-环己氨基丙腈?
You can request a quote for 3-环己氨基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-环己氨基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-环己氨基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.