Dicyclohexylcarbodiimide
TL;DR: Dicyclohexylcarbodiimide (CAS 538-75-0) is a chemical compound with molecular formula C13H22N2 and molecular weight 206.1783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-dicyclohexylmethanediimine
Also Known As: DICYCLOHEXYLCARBODIIMIDE, N,N'-Dicyclohexylcarbodiimide, DCCD, DCCI, 1,3-Dicyclohexylcarbodiimide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H22N2 |
| Molecular Weight | 206.1783 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.1783 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| Melting Point | 93 to 95 °F (NTP, 1992) |
| Boiling Point | 252 to 255 °F at 6 mmHg (NTP, 1992) |
| Flash Point | greater than 235 °F (NTP, 1992) |
| Vapor Pressure | VP: 0.5 mm Hg at 98-100 °C, 2 mm Hg at 138-140 °C, 11 mm Hg at 154-156 °C |
| Solubility | Reaction (NTP, 1992) |
| SMILES | C1CCC(CC1)N=C=NC2CCCCC2 |
| InChIKey | QOSSAOTZNIDXMA-UHFFFAOYSA-N |
Product Description
Applications: Dicyclohexylcarbodiimide 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 Dicyclohexylcarbodiimide (CAS 538-75-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dicyclohexylcarbodiimide is a heterocyclic building block identified by CAS number 538-75-0 and the molecular formula C13H22N2 and a molecular weight of 206.18 g/mol. Physically, the compound has a solubility: Reaction (NTP, 1992). It is also known as DICYCLOHEXYLCARBODIIMIDE and N,N'-Dicyclohexylcarbodiimide.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H302, H311, H317, H318
Chemical Property Profile of Dicyclohexylcarbodiimide
Property Insights of Dicyclohexylcarbodiimide
The XLogP value of 4.7 indicates that Dicyclohexylcarbodiimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, Dicyclohexylcarbodiimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dicyclohexylcarbodiimide 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 Dicyclohexylcarbodiimide?
The CAS number of Dicyclohexylcarbodiimide is 538-75-0.
What is the molecular formula of Dicyclohexylcarbodiimide?
The molecular formula of Dicyclohexylcarbodiimide is C13H22N2.
What is the molecular weight of Dicyclohexylcarbodiimide?
The molecular weight of Dicyclohexylcarbodiimide is 206.1783 g/mol.
What are the applications of Dicyclohexylcarbodiimide?
Dicyclohexylcarbodiimide 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 Dicyclohexylcarbodiimide (CAS...
Where can I buy Dicyclohexylcarbodiimide?
You can request a quote for Dicyclohexylcarbodiimide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dicyclohexylcarbodiimide?
Yes, CoreyChem provides custom synthesis services for Dicyclohexylcarbodiimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
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