2,5,6,7-tetrahydro-1H-azepin-2-one - CAS 2228-79-7
Catalog: |
BB076716 |
Product Name: |
2,5,6,7-tetrahydro-1H-azepin-2-one |
CAS: |
2228-79-7 |
Synonyms: |
6,7-Dihydro-1H-azepin-2(5H)-one; 1,5,6,7-Tetrahydro-2H-azepin-2-one; 1,2,3,4-tetrahydroazepin-7-one; 2H-Azepin-2-one, 1,5,6,7-tetrahydro-; 2,5,6,7-tetrahydro-1H-azepin-2-one; azacyclohept-3-ene-2-one |
IUPAC Name: | 1,2,3,4-tetrahydroazepin-7-one |
Description: | 2,5,6,7-tetrahydro-1H-azepin-2-one (cas# 2228-79-7) is a useful research chemical. |
Molecular Weight: | 111.14 |
Molecular Formula: | C6H9NO |
Canonical SMILES: | C1CC=CC(=O)NC1 |
InChI: | InChI=1S/C6H9NO/c8-6-4-2-1-3-5-7-6/h2,4H,1,3,5H2,(H,7,8) |
InChI Key: | DGDYEWHHLLKNRD-UHFFFAOYSA-N |
Solubility: | Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly) |
Appearance: | Colourless to Pale Yellow Oil to Semi-Solid |
Storage: | Refrigerator |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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