Butanenitrile, 4-imino-4-methoxy-
TL;DR: Butanenitrile, 4-imino-4-methoxy- (CAS 99418-75-4) is a chemical compound with molecular formula C5H8N2O and molecular weight 112.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-cyanopropanimidate
Also Known As: methyl 3-cyanopropanimidate, Methyl 3-cyanopropanimidoate, Methyl 3-cyanopropanimidoate #, methyl(1z)-3-cyanopropanimidoate, Butanenitrile,4-imino-4-methoxy-
| Molecular Formula | C5H8N2O |
|---|---|
| Molecular Weight | 112.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.06366 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 99418-75-4 |
|---|---|
| SMILES | COC(=N)CCC#N |
| InChIKey | JRPNVSLDPLKLCT-UHFFFAOYSA-N |
Product Overview
Butanenitrile, 4-imino-4-methoxy- (CAS 99418-75-4), with molecular formula C5H8N2O and molecular weight 112.06 g/mol. IUPAC: methyl 3-cyanopropanimidate.
Chemical Property Profile of Butanenitrile, 4-imino-4-methoxy-
Property Insights of Butanenitrile, 4-imino-4-methoxy-
The XLogP value of -0.2 indicates that Butanenitrile, 4-imino-4-methoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.9 Ų, Butanenitrile, 4-imino-4-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanenitrile, 4-imino-4-methoxy- has 1 hydrogen bond donor(s) and 3 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 Butanenitrile, 4-imino-4-methoxy-?
The CAS number of Butanenitrile, 4-imino-4-methoxy- is 99418-75-4.
What is the molecular formula of Butanenitrile, 4-imino-4-methoxy-?
The molecular formula of Butanenitrile, 4-imino-4-methoxy- is C5H8N2O.
What is the molecular weight of Butanenitrile, 4-imino-4-methoxy-?
The molecular weight of Butanenitrile, 4-imino-4-methoxy- is 112.06 g/mol.
Where can I buy Butanenitrile, 4-imino-4-methoxy-?
You can request a quote for Butanenitrile, 4-imino-4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanenitrile, 4-imino-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Butanenitrile, 4-imino-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.