Cas no 802010-81-7 (5-Isoquinolinecarboxylicacid, 2-ethyldecahydro-, methyl ester)
802010-81-7 structure
Product Name:5-Isoquinolinecarboxylicacid, 2-ethyldecahydro-, methyl ester
CAS No:802010-81-7
MF:C13H23NO2
MW:225.32722401619
CID:713109
PubChem ID:45095559
Update Time:2025-04-19
5-Isoquinolinecarboxylicacid, 2-ethyldecahydro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoquinolinecarboxylicacid, 2-ethyldecahydro-, methyl ester
- 5-Isoquinolinecarboxylicacid,2-ethyldecahydro-,methylester(8CI)
- methyl 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-5-carboxylate
- methyl 2-ethyldecahydroisoquinoline-5-carboxylate
- methyl 2-ethyl-decahydroisoquinoline-5-carboxylate
- 5-isoquinolinecarboxylic acid,2-ethyldecahydro-,methyl ester
- 802010-81-7
-
- Inchi： 1S/C13H23NO2/c1-3-14-8-7-11-10(9-14)5-4-6-12(11)13(15)16-2/h10-12H,3-9H2,1-2H3
- InChI Key： ULPTVDUQBTYMEY-UHFFFAOYSA-N
- SMILES： O(C)C(C1CCCC2CN(CC)CCC21)=O
Computed Properties
- Exact Mass: 225.173
- Monoisotopic Mass: 225.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5A^2
- XLogP3: 2.2
5-Isoquinolinecarboxylicacid, 2-ethyldecahydro-, methyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
802010-81-7 (5-Isoquinolinecarboxylicacid, 2-ethyldecahydro-, methyl ester) Related Products
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