Diisopropylcarbodiimide
TL;DR: Diisopropylcarbodiimide (CAS 693-13-0) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.1157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-di(propan-2-yl)methanediimine
Also Known As: N,N'-Diisopropylcarbodiimide, Diisopropylcarbodiimide, 1,3-Diisopropylcarbodiimide, N,N-Diisopropylcarbodiimide, DIPC
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14N2 |
| Molecular Weight | 126.1157 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.1157 Da |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| Purity | ≥99.0% (GC) |
| Melting Point | 33.0 |
| Boiling Point | 147 °C |
| Density | 0.806 g/cu cm at 25 °C |
| Vapor Pressure | 9.79 [mmHg] |
| Refractive Index | Index of Refraction = 1.4320 at 20 °C |
| Solubility | Soluble in chloroform, methylene chloride, acetonitrile, dioxane, dimethylformamide, and tetrahydrofuran |
| SMILES | CC(C)N=C=NC(C)C |
| InChIKey | BDNKZNFMNDZQMI-UHFFFAOYSA-N |
Product Description
Applications: Diisopropylcarbodiimide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at ≥99.0% (GC). Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Diisopropylcarbodiimide is a pharmaceutical intermediate identified by CAS number 693-13-0 and the molecular formula C7H14N2 and a molecular weight of 126.12 g/mol. Physically, the compound has a density of 0.806 g/cu cm at 25 °C g/cm³, a solubility: Soluble in chloroform, methylene chloride, acetonitrile, dioxane, dimethylformamide, and tetrahydrofuran. Synonyms include N,N'-Diisopropylcarbodiimide and Diisopropylcarbodiimide.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H226, H317, H318, H330, H334
Chemical Property Profile of Diisopropylcarbodiimide
Property Insights of Diisopropylcarbodiimide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropylcarbodiimide. With a topological polar surface area (TPSA) of 24.7 Ų, Diisopropylcarbodiimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropylcarbodiimide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diisopropylcarbodiimide?
The CAS number of Diisopropylcarbodiimide is 693-13-0.
What is the molecular formula of Diisopropylcarbodiimide?
The molecular formula of Diisopropylcarbodiimide is C7H14N2.
What is the molecular weight of Diisopropylcarbodiimide?
The molecular weight of Diisopropylcarbodiimide is 126.1157 g/mol.
What are the applications of Diisopropylcarbodiimide?
Diisopropylcarbodiimide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at...
Where can I buy Diisopropylcarbodiimide?
You can request a quote for Diisopropylcarbodiimide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisopropylcarbodiimide?
Yes, CoreyChem provides custom synthesis services for Diisopropylcarbodiimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.