2-(Cyclohexylamino)acetonitrile
TL;DR: 2-(Cyclohexylamino)acetonitrile (CAS 1074-58-4) is a chemical compound with molecular formula C8H14N2 and molecular weight 138.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexylamino)acetonitrile
Also Known As: 2-(cyclohexylamino)acetonitrile, Cyclohexylaminoacetonitrile, (cyclohexylamino)acetonitrile, cyclohexylamino-acetonitrile, N-cyclohexylaminoacetonitrile
| Molecular Formula | C8H14N2 |
|---|---|
| Molecular Weight | 138.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.11569 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 1074-58-4 |
|---|---|
| SMILES | C1CCC(CC1)NCC#N |
| InChIKey | PIYOTHVPNLMMFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Cyclohexylamino)acetonitrile (CAS 1074-58-4), with molecular formula C8H14N2 and molecular weight 138.12 g/mol. IUPAC: 2-(cyclohexylamino)acetonitrile.
Chemical Property Profile of 2-(Cyclohexylamino)acetonitrile
Property Insights of 2-(Cyclohexylamino)acetonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyclohexylamino)acetonitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 2-(Cyclohexylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohexylamino)acetonitrile 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-(Cyclohexylamino)acetonitrile?
The CAS number of 2-(Cyclohexylamino)acetonitrile is 1074-58-4.
What is the molecular formula of 2-(Cyclohexylamino)acetonitrile?
The molecular formula of 2-(Cyclohexylamino)acetonitrile is C8H14N2.
What is the molecular weight of 2-(Cyclohexylamino)acetonitrile?
The molecular weight of 2-(Cyclohexylamino)acetonitrile is 138.12 g/mol.
Where can I buy 2-(Cyclohexylamino)acetonitrile?
You can request a quote for 2-(Cyclohexylamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohexylamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.