Dicyclohexylcarbodiimide (CAS 538-75-0) — formula C13H22N2, molecular weight 206.33; category pharmaceutical intermediates and APIs.
| CAS Number | 538-75-0 |
|---|---|
| Molecular Formula | C13H22N2 |
| Molecular Weight | 206.33 |
| Melting Point | 93 to 95 °F (NTP, 1992) |
| Boiling Point | 252 to 255 °F at 6 mmHg (NTP, 1992) |
| LogP | 4.7 |
| Applications | Uses: Used in chemical synthesis, [Hawley] Used as a coupling reagent in peptide chemistry, [Kanerva, p. 1781], Dicyclohexylcarbodiimide is used in industry as a stabilizing agent, coupling agent, and condensing agent. It has widespread use during protein synthesis in the recombinant DNA industry and in the synthesis of polypeptides in the chemical and pharmaceutical industries.[DHHS, NTP, Toxicology Studies of Dicyclohexylcarbodiimide (CAS No. 538-75-0) in F344, N Rats, B6C3F1 Mice, and Genetically Modified (FVB Tg.AC Hemizygous) Mice and Carcinogenicity Study of Dicyclohexylcarbodiimide in Genetically Modified, Widely used reagent in the chemical and pharmaceutical industries, increasing use in field of bioenergetics, stabilizing agent in elastomers, natural rubber, and many types of polyolefins, polyesters, resins, fibers, cellulose esters, etc, Industry Uses: Polymerization promoter, Methods of Manufacturing: Preparation: ...Schmidt, Schnegg, US 2656383 (1953 to Bayer), U.S. Production: 2022: 14, 109 lb, 2021: 109, 348 lb, 2020: 13, 669 lb, Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8038], General Manufacturing Information: Petrochemical Manufacturing, Cyclohexanamine, N, N'-methanetetraylbis-: ACTIVE |
| Category | Pharmaceutical Intermediates |
Documented applications: Uses: Used in chemical synthesis, [Hawley] Used as a coupling reagent in peptide chemistry, [Kanerva, p. 1781], Dicyclohexylcarbodiimide is used in industry as a stabilizing agent, coupling agent, and condensing agent. It has widespread use during protein synthesis in the recombinant DNA industry and in the synthesis of polypeptides in the chemical and pharmaceutical industries.[DHHS, NTP, Toxicology Studies of Dicyclohexylcarbodiimide (CAS No. 538-75-0) in F344, N Rats, B6C3F1 Mice, and Genetically Modified (FVB Tg.AC Hemizygous) Mice and Carcinogenicity Study of Dicyclohexylcarbodiimide in Genetically Modified, Widely used reagent in the chemical and pharmaceutical industries, increasing use in field of bioenergetics, stabilizing agent in elastomers, natural rubber, and many types of polyolefins, polyesters, resins, fibers, cellulose esters, etc, Industry Uses: Polymerization promoter, Methods of Manufacturing: Preparation: ...Schmidt, Schnegg, US 2656383 (1953 to Bayer), U.S. Production: 2022: 14, 109 lb, 2021: 109, 348 lb, 2020: 13, 669 lb, Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8038], General Manufacturing Information: Petrochemical Manufacturing, Cyclohexanamine, N, N'-methanetetraylbis-: ACTIVE.
Dicyclohexylcarbodiimide is a pharmaceutical intermediate or API compound with CAS registry number 538-75-0 and molecular formula C13H22N2 (molecular weight 206.33), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 538-75-0
Its molecular formula C13H22N2 comprises 13 C, 22 H, 2 N atoms.
Also known as: Dicyclohexylcarbodiimide · 二环己基碳二亚胺
Category: pharmaceutical intermediates and APIs
The CAS registry number of Dicyclohexylcarbodiimide is 538-75-0.
Molecular formula C13H22N2, molecular weight 206.33.
It is also registered under: Dicyclohexylcarbodiimide, 二环己基碳二亚胺.
Recorded applications: Uses: Used in chemical synthesis, [Hawley] Used as a coupling reagent in peptide chemistry, [Kanerva, p. 1781], Dicyclohexylcarbodiimide is used in industry as a stabilizing agent, coupling agent, and condensing agent. It has widespread use during protein synthesis in the recombinant DNA industry and in the synthesis of polypeptides in the chemical and pharmaceutical industries.[DHHS, NTP, Toxicology Studies of Dicyclohexylcarbodiimide (CAS No. 538-75-0) in F344, N Rats, B6C3F1 Mice, and Genetically Modified (FVB Tg.AC Hemizygous) Mice and Carcinogenicity Study of Dicyclohexylcarbodiimide in Genetically Modified, Widely used reagent in the chemical and pharmaceutical industries, increasing use in field of bioenergetics, stabilizing agent in elastomers, natural rubber, and many types of polyolefins, polyesters, resins, fibers, cellulose esters, etc, Industry Uses: Polymerization promoter, Methods of Manufacturing: Preparation: ...Schmidt, Schnegg, US 2656383 (1953 to Bayer), U.S. Production: 2022: 14, 109 lb, 2021: 109, 348 lb, 2020: 13, 669 lb, Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8038], General Manufacturing Information: Petrochemical Manufacturing, Cyclohexanamine, N, N'-methanetetraylbis-: ACTIVE.
Category: Pharmaceutical Intermediates.
Independent reference data for Dicyclohexylcarbodiimide (CAS 538-75-0), compiled from public chemistry databases.
| CAS Registry Number | 538-75-0 |
|---|---|
| PubChem CID | 10868 |
| Molecular formula | C13H22N2 |
| IUPAC name | N,N'-dicyclohexylmethanediimine |
| UNII (FDA) | 0T1427205E |
| Molecular Weight | 206.33 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.178298710 |
| Monoisotopic Mass | 206.178298710 |
| Topological Polar Surface Area | 24.7 |
| Heavy Atom Count | 15 |
| Boiling Point | 252 to 255 °F at 6 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | BP: 154-156 °C at 11 mm Hg |
| Melting Point | 93 to 95 °F (NTP, 1992) |
| Melting Point | 34.5 °C |
| Other Experimental Properties | Set point = 29-30 °C |
DICYCLOHEXYLCARBODIIMIDE; 538-75-0; N,N'-Dicyclohexylcarbodiimide; 1,3-Dicyclohexylcarbodiimide; DCCD; DCCI; Carbodicyclohexylimide; Bis(cyclohexyl)carbodiimide; Carbodiimide, dicyclohexyl-; Cyclohexanamine, N,N'-methanetetraylbis-; dicyclohexylmethanediimine; N,N'-Methanetetraylbiscyclohexaamine; DTXSID1023817; Dicyclohexyl-Carbodiimide; CHEBI:53090; NSC-30022
| Reported hazard statements | H302, H311, H317, H318, H315 (20.6%), H400 (14.5%), H410 (14.9%), H413 (20.6%) |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
Dicyclohexylcarbodiimide · CAS 538-75-0 · C13H22N2. UNII 0T1427205E. Boiling Point: 252 to 255 °F at 6 mmHg (NTP, 1992); Boiling Point: BP: 154-156 °C at 11 mm Hg; Melting Point: 93 to 95 °F (NTP, 1992).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 二环己基碳二亚胺