2-Aminocyclohex-1-ene-1-carbonitrile
TL;DR: 2-Aminocyclohex-1-ene-1-carbonitrile (CAS 15654-53-2) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminocyclohexene-1-carbonitrile
Also Known As: 2-Aminocyclohex-1-enecarbonitrile, 2-aminocyclohex-1-ene-1-carbonitrile, 2-aminocyclohexene-1-carbonitrile, 2-Amino-cyclohex-1-enecarbonitrile, aminocyclohexene carbonitrile
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 15654-53-2 |
|---|---|
| SMILES | C1CCC(=C(C1)C#N)N |
| InChIKey | PFIVIEDNXASHEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aminocyclohex-1-ene-1-carbonitrile (CAS 15654-53-2), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: 2-aminocyclohexene-1-carbonitrile.
Chemical Property Profile of 2-Aminocyclohex-1-ene-1-carbonitrile
Property Insights of 2-Aminocyclohex-1-ene-1-carbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminocyclohex-1-ene-1-carbonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Aminocyclohex-1-ene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Aminocyclohex-1-ene-1-carbonitrile 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 2-Aminocyclohex-1-ene-1-carbonitrile?
The CAS number of 2-Aminocyclohex-1-ene-1-carbonitrile is 15654-53-2.
What is the molecular formula of 2-Aminocyclohex-1-ene-1-carbonitrile?
The molecular formula of 2-Aminocyclohex-1-ene-1-carbonitrile is C7H10N2.
What is the molecular weight of 2-Aminocyclohex-1-ene-1-carbonitrile?
The molecular weight of 2-Aminocyclohex-1-ene-1-carbonitrile is 122.08 g/mol.
Where can I buy 2-Aminocyclohex-1-ene-1-carbonitrile?
You can request a quote for 2-Aminocyclohex-1-ene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminocyclohex-1-ene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminocyclohex-1-ene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.