Cas no 62370-96-1 ( )
structure
Product Name:
CAS No:62370-96-1
MF:C19H22ClN
MW:299.837684154511
CID:956593
PubChem ID:12318951
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- NSC289499
- NSC-289499
- 62370-96-1
- DTXSID80488226
- 1-Ethyl-1,2,3,7,8,12b-hexahydrobenzo[4,5]cyclohepta[1,2,3-ij]isoquinoline--hydrogen chloride (1/1)
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- Inchi： 1S/C19H21N.ClH/c1-2-20-13-12-16-8-5-7-15-11-10-14-6-3-4-9-17(14)19(20)18(15)16;/h3-9,19H,2,10-13H2,1H3;1H
- InChI Key： HJZPKSUOEXNWSK-UHFFFAOYSA-N
- SMILES： Cl.N1(CC)CCC2C=CC=C3CCC4C=CC=CC=4C1C=23
Computed Properties
- Exact Mass: 263.16753
- Monoisotopic Mass: 299.1440774g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 339
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
- LogP: 4.49250
Related Literature
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1. 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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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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