Cas no 1246167-37-2 (methyl decahydroisoquinoline-5-carboxylate)
1246167-37-2 structure
Product Name:methyl decahydroisoquinoline-5-carboxylate
CAS No:1246167-37-2
MF:C11H19NO2
MW:197.27406334877
CID:2136848
Update Time:2023-11-19
methyl decahydroisoquinoline-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl decahydroisoquinoline-5-carboxylate
- CID 84048962
- 5-Isoquinolinecarboxylic acid, decahydro-, methyl ester
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- Inchi： 1S/C11H19NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h8-10,12H,2-7H2,1H3
- InChI Key： KVMFQPJACCDDCM-UHFFFAOYSA-N
- SMILES： O(C)C(C1CCCC2CNCCC21)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 217
- Topological Polar Surface Area: 38.3
Experimental Properties
- Density: 1.027±0.06 g/cm3(Predicted)
- Boiling Point: 276.8±33.0 °C(Predicted)
- pka: 11.29±0.40(Predicted)
methyl decahydroisoquinoline-5-carboxylate Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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