Cas no 1094554-01-4 (1-(Ethylamino)isoquinoline-3-carboxylic acid)
1094554-01-4 structure
Product Name:1-(Ethylamino)isoquinoline-3-carboxylic acid
CAS No:1094554-01-4
MF:C12H12N2O2
MW:216.235882759094
CID:1083822
PubChem ID:43166481
Update Time:2025-04-20
1-(Ethylamino)isoquinoline-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-(Ethylamino)isoquinoline-3-carboxylic acid
- 1094554-01-4
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- Inchi: 1S/C12H12N2O2/c1-2-13-11-9-6-4-3-5-8(9)7-10(14-11)12(15)16/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
- InChI Key: YYFZUVMBZKMANE-UHFFFAOYSA-N
- SMILES: OC(C1=CC2C=CC=CC=2C(=N1)NCC)=O
Computed Properties
- Exact Mass: 216.089877630g/mol
- Monoisotopic Mass: 216.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 62.2?2
1-(Ethylamino)isoquinoline-3-carboxylic acid Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
1094554-01-4 (1-(Ethylamino)isoquinoline-3-carboxylic acid) Related Products
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