3-(Butylamino)propionitrile
TL;DR: 3-(Butylamino)propionitrile (CAS 693-51-6) is a chemical compound with molecular formula CCCCNCCC#N and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(butylamino)propanenitrile
Also Known As: 3-(Butylamino)propionitrile, 3-(butylamino)propanenitrile, 3-(n-butylamino)propionitrile, 3-(BUTYLAMINO)-PROPIONITRILE, 3-Butylamino-propanenitrile
| Molecular Formula | CCCCNCCC#N |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 693-51-6 |
|---|---|
| SMILES | CCCCNCCC#N |
| InChIKey | FPGVMJDQNJEAJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Butylamino)propionitrile (CAS 693-51-6), with molecular formula CCCCNCCC#N and molecular weight 126.12 g/mol. IUPAC: 3-(butylamino)propanenitrile.
Chemical Property Profile of 3-(Butylamino)propionitrile
Property Insights of 3-(Butylamino)propionitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Butylamino)propionitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-(Butylamino)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Butylamino)propionitrile 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-(Butylamino)propionitrile?
The CAS number of 3-(Butylamino)propionitrile is 693-51-6.
What is the molecular formula of 3-(Butylamino)propionitrile?
The molecular formula of 3-(Butylamino)propionitrile is CCCCNCCC#N.
What is the molecular weight of 3-(Butylamino)propionitrile?
The molecular weight of 3-(Butylamino)propionitrile is 126.12 g/mol.
Where can I buy 3-(Butylamino)propionitrile?
You can request a quote for 3-(Butylamino)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Butylamino)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butylamino)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.