Cas no 19434-64-1 (2H-Azepin-2-one,1-chlorohexahydro-)
19434-64-1 structure
Product Name:2H-Azepin-2-one,1-chlorohexahydro-
CAS No:19434-64-1
MF:C6H10ClNO
MW:147.602700710297
CID:168903
PubChem ID:88061
Update Time:2025-04-19
2H-Azepin-2-one,1-chlorohexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepin-2-one,1-chlorohexahydro-
- 1-chloroazepan-2-one
- 1-chlorohexahydro-2H-azepin-2-one
- Einecs 243-062-6
- 1-Chlorohexahydro-1H-azepine-2-one
- 1-Chloro-4,5,6,7-tetrahydro-1H-azepine-2(3H)-one
- NS00026333
- FT-0735821
- 19434-64-1
- UNII-W3R75W7BP5
- DTXSID30173059
- SCHEMBL198982
- N-chlorocaprolactam
- FCWAYYDINOPRFJ-UHFFFAOYSA-N
- W3R75W7BP5
- 2H-Azepin-2-one, 1-chlorohexahydro-
- E87009
-
- Inchi： 1S/C6H10ClNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2
- InChI Key： FCWAYYDINOPRFJ-UHFFFAOYSA-N
- SMILES： ClN1C(CCCCC1)=O
Computed Properties
- Exact Mass: 147.0452
- Monoisotopic Mass: 147.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Density: 1.18
- Boiling Point: 202.2°Cat760mmHg
- Flash Point: 76.1°C
- Refractive Index: 1.499
- PSA: 20.31
2H-Azepin-2-one,1-chlorohexahydro- Related Literature
-
Fabio Marchetti,Guido Pampaloni,Stefano Zacchini Dalton Trans. 2013 42 2477
-
Dillon H. Miles,Marcos Veguillas,F. Dean Toste Chem. Sci. 2013 4 3427
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