![[(tert-Butylamino)methylidene]propanedinitrile structure](/static/products/5363/53630-83-4.webp)
[(tert-Butylamino)methylidene]propanedinitrile
TL;DR: [(tert-Butylamino)methylidene]propanedinitrile (CAS 53630-83-4) is a chemical compound with molecular formula C8H11N3 and molecular weight 149.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(tert-butylamino)methylidene]propanedinitrile
Also Known As: 2-[(tert-butylamino)methylidene]propanedinitrile, [(tert-Butylamino)methylidene]propanedinitrile
| Molecular Formula | C8H11N3 |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.09529 |
| Heavy Atoms | 11 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 53630-83-4 |
|---|---|
| SMILES | CC(C)(C)NC=C(C#N)C#N |
| InChIKey | YWJYGQPPLYTANL-UHFFFAOYSA-N |
Product Overview
[(tert-Butylamino)methylidene]propanedinitrile (CAS 53630-83-4), with molecular formula C8H11N3 and molecular weight 149.10 g/mol. IUPAC: 2-[(tert-butylamino)methylidene]propanedinitrile.
Chemical Property Profile of [(tert-Butylamino)methylidene]propanedinitrile
Property Insights of [(tert-Butylamino)methylidene]propanedinitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(tert-Butylamino)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 59.6 Ų, [(tert-Butylamino)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(tert-Butylamino)methylidene]propanedinitrile 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 [(tert-Butylamino)methylidene]propanedinitrile?
The CAS number of [(tert-Butylamino)methylidene]propanedinitrile is 53630-83-4.
What is the molecular formula of [(tert-Butylamino)methylidene]propanedinitrile?
The molecular formula of [(tert-Butylamino)methylidene]propanedinitrile is C8H11N3.
What is the molecular weight of [(tert-Butylamino)methylidene]propanedinitrile?
The molecular weight of [(tert-Butylamino)methylidene]propanedinitrile is 149.10 g/mol.
Where can I buy [(tert-Butylamino)methylidene]propanedinitrile?
You can request a quote for [(tert-Butylamino)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(tert-Butylamino)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(tert-Butylamino)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.