4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 40372-44-9) is a chemical compound with molecular formula C7H11N3 and molecular weight 137.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile
Also Known As: 4-amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile, 4-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile, 3-Pyridinecarbonitrile, 4-amino-1,2,5,6-tetrahydro-1-methyl-, 4-amino-1,2,5,6-tetrahydro-1-methylnicotinonitrile, A2718/0115508
| Molecular Formula | C7H11N3 |
|---|---|
| Molecular Weight | 137.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.09529 |
| Heavy Atoms | 10 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 40372-44-9 |
|---|---|
| SMILES | CN1CCC(=C(C1)C#N)N |
| InChIKey | ATXVSWXONNFECZ-UHFFFAOYSA-N |
Product Overview
4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 40372-44-9), with molecular formula C7H11N3 and molecular weight 137.10 g/mol. IUPAC: 4-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile.
Chemical Property Profile of 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 53.1 Ų, 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile 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 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile is 40372-44-9.
What is the molecular formula of 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile is C7H11N3.
What is the molecular weight of 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile is 137.10 g/mol.
Where can I buy 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-methyl-1,2,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.