氨基三乙腈
TL;DR: 氨基三乙腈 (CAS 36307-61-6) is a chemical compound with molecular formula C4H2N4 and molecular weight 106.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基三乙腈
aminomethanetricarbonitrile
Also Known As: Aminomethanetricarbonitrile, Methanetricarbonitrile, amino-, 252-962-8, EINECS 252-962-8, RefChem:112049
| Molecular Formula | C4H2N4 |
|---|---|
| Molecular Weight | 106.03 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.02795 |
| Heavy Atoms | 8 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 36307-61-6 |
|---|---|
| SMILES | C(#N)C(C#N)(C#N)N |
| InChIKey | QFWLDOKFOKXQTO-UHFFFAOYSA-N |
Product Overview
氨基三乙腈 (CAS 36307-61-6), with molecular formula C4H2N4 and molecular weight 106.03 g/mol. IUPAC: aminomethanetricarbonitrile.
Chemical Property Profile of 氨基三乙腈
Property Insights of 氨基三乙腈
The XLogP value of -1.2 indicates that 氨基三乙腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨基三乙腈. Following Lipinski's Rule of Five, 氨基三乙腈 has 1 hydrogen bond donor(s) and 4 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 氨基三乙腈?
The CAS number of 氨基三乙腈 is 36307-61-6.
What is the molecular formula of 氨基三乙腈?
The molecular formula of 氨基三乙腈 is C4H2N4.
What is the molecular weight of 氨基三乙腈?
The molecular weight of 氨基三乙腈 is 106.03 g/mol.
Where can I buy 氨基三乙腈?
You can request a quote for 氨基三乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基三乙腈?
Yes, KEHONG BIO provides custom synthesis services for 氨基三乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.