Cas no 170486-98-3 (Isoquinoline, 1-(1,3-dioxolan-2-yl)-)
170486-98-3 structure
Product Name:Isoquinoline, 1-(1,3-dioxolan-2-yl)-
CAS No:170486-98-3
MF:C12H11NO2
MW:201.221243143082
CID:1357279
Update Time:2024-08-17
Isoquinoline, 1-(1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 1-(1,3-dioxolan-2-yl)-
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- Inchi： 1S/C12H11NO2/c1-2-4-10-9(3-1)5-6-13-11(10)12-14-7-8-15-12/h1-6,12H,7-8H2
- InChI Key： DZIICRLCZRKLNW-UHFFFAOYSA-N
- SMILES： C1(C2OCCO2)C2=C(C=CC=C2)C=CN=1
Computed Properties
- Exact Mass: 201.07903
Experimental Properties
- Density: 1.239±0.06 g/cm3(Predicted)
- Boiling Point: 376.0±32.0 °C(Predicted)
- PSA: 31.35
- pka: 4.86±0.30(Predicted)
Isoquinoline, 1-(1,3-dioxolan-2-yl)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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