Cas no 143232-60-4 (4-amino-7-methyl-cinnoline-3-carboxylic acid)
143232-60-4 structure
Product Name:4-amino-7-methyl-cinnoline-3-carboxylic acid
CAS No:143232-60-4
MF:C10H9N3O2
MW:203.197361707687
CID:169887
PubChem ID:3072546
Update Time:2025-04-19
4-amino-7-methyl-cinnoline-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-7-methyl-cinnoline-3-carboxylic acid
- 3-Cinnolinecarboxylicacid,4-amino-7-methyl-(9CI)
- 3-Cinnolinecarboxylicacid, 4-amino-7-methyl-
- 4-amino-7-methylcinnoline-3-carboxylic acid
- 3-Cinnolinecarboxylic acid,4-amino-7-methyl-,hydrate
- 3-Cinnolinecarboxylicacid,4-amino-7-methyl
- 4-Amino-7-methyl-3-cinnolinecarboxylic acid hydrate
- 3-Cinnolinecarboxylic acid, 4-amino-7-methyl-, hydrate
- 143232-60-4
- DTXSID70162361
-
- Inchi： 1S/C10H9N3O2/c1-5-2-3-6-7(4-5)12-13-9(8(6)11)10(14)15/h2-4H,1H3,(H2,11,12)(H,14,15)
- InChI Key： AWEVCTWWLDHGDG-UHFFFAOYSA-N
- SMILES： OC(C1=C(C2C=CC(C)=CC=2N=N1)N)=O
Computed Properties
- Exact Mass: 203.06900
- Monoisotopic Mass: 203.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 259
- 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: 1.3
- Topological Polar Surface Area: 89.1?2
Experimental Properties
- PSA: 89.10000
- LogP: 1.79980
4-amino-7-methyl-cinnoline-3-carboxylic acid Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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