ε- Caprolactam - CAS 105-60-2
Catalog: |
BB070656 |
Product Name: |
ε- Caprolactam |
CAS: |
105-60-2 |
Synonyms: |
Hexahydro-2H- Azepin- 2- one; 1- Aza- 2- cycloheptanone; 2- Azacycloheptanone; 2- Ketohexamethylenimin e; 2- Oxohexamethylenimine; 2- Perhydroazepinone; 6- Caprolactam; 6- Hexanelactam; A 19374; AP; AP (lactam); Aminocaproic Lactam; Azepan- 2- one; Caprolactam; Hexahydro- 1H- azepin- 2- one; Hexahydro- 2- azepinone; Hexahydro- 2H- azepin- 2- one; Hexano- 6- lactam; 6- Amino- hexanoic Acid, Cyclic Lactam; Hexanolactam; NSC 117393; NSC 25536; NSC 4977; ω- Caprolactam |
IUPAC Name: | azepan-2-one |
Description: | ε- Caprolactam is a synthetic precursor of Nylon-6 and other synthetic polymers. This compound also inhibits the growth of several Bacillus and Rhizobium species, but Arthrobacter species grow normally in the presence of this compound. |
Molecular Weight: | 113.16 |
Molecular Formula: | C6H11NO |
Canonical SMILES: | C1CCC(=O)NCC1 |
InChI: | InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
InChI Key: | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
Boiling Point: | 512.4 °F at 760 mmHg |
Melting Point: | 68-71°C |
Flash Point: | 257 °F |
Density: | 1.02 at 170.6 °F |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C |
Decomposition: | When heated to decomposition it emits toxic fumes /nitrogen oxides |
LogP: | -0.19 |
References: | Bomfim, Marcus V.J., et al. Braz. J. Pharm. Sci., 45(1), 21-35 (2009); Kalinova, Jana P., et al. Food Chem., 157, 380-384 (2014). |
Refractive Index: | 1.4965 at 31 °C/D |
Vapor Pressure: | 0.001 mmHg at 68 °F ; 3 mmHg at 212 °F |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 90.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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