Gramine
TL;DR: Gramine (CAS 87-52-5) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Also Known As: Gramine, Donaxine, 3-(Dimethylaminomethyl)indole, Donaxin, Gramin
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.11569 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.11569 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| Melting Point | 138 - 139 °C |
| SMILES | CN(C)CC1=CNC2=CC=CC=C21 |
| InChIKey | OCDGBSUVYYVKQZ-UHFFFAOYSA-N |
Product Description
Applications: Gramine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Gramine (CAS 87-52-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Gramine (CAS 87-52-5) is a heterocyclic building block with the molecular formula C11H14N2 and a molecular weight of 174.12 g/mol. It is also known as Gramine and Donaxine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Gramine
Property Insights of Gramine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gramine. With a topological polar surface area (TPSA) of 19.0 Ų, Gramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gramine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Gramine?
The CAS number of Gramine is 87-52-5.
What is the molecular formula of Gramine?
The molecular formula of Gramine is C11H14N2.
What is the molecular weight of Gramine?
The molecular weight of Gramine is 174.11569 g/mol.
What are the applications of Gramine?
Gramine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Gramine (CAS 87-52-5) with custom synthesis...
Where can I buy Gramine?
You can request a quote for Gramine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gramine?
Yes, CoreyChem provides custom synthesis services for Gramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.