Cas no 104310-00-1 (2H-1,5-Benzodiazepin-2-one, 5-acetyl-1,3,4,5-tetrahydro-3-methyl-)
104310-00-1 structure
Product Name:2H-1,5-Benzodiazepin-2-one, 5-acetyl-1,3,4,5-tetrahydro-3-methyl-
CAS No:104310-00-1
MF:C12H14N2O2
MW:218.251762866974
CID:1142212
Update Time:2024-07-27
2H-1,5-Benzodiazepin-2-one, 5-acetyl-1,3,4,5-tetrahydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
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- 2H-1,5-Benzodiazepin-2-one, 5-acetyl-1,3,4,5-tetrahydro-3-methyl-
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- Inchi： 1S/C12H14N2O2/c1-8-7-14(9(2)15)11-6-4-3-5-10(11)13-12(8)16/h3-6,8H,7H2,1-2H3,(H,13,16)
- InChI Key： SWNSVADMLMQOJW-UHFFFAOYSA-N
- SMILES： N1C2=CC=CC=C2N(C(C)=O)CC(C)C1=O
Computed Properties
- Exact Mass: 218.10562
Experimental Properties
- Density: 1.155±0.06 g/cm3(Predicted)
- Melting Point: 163-165 °C(Solv: ethyl acetate (141-78-6))
- Boiling Point: 481.4±38.0 °C(Predicted)
- PSA: 49.41
- pka: 14.46±0.40(Predicted)
2H-1,5-Benzodiazepin-2-one, 5-acetyl-1,3,4,5-tetrahydro-3-methyl- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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