Cas no 749153-50-2 (1H-Indole-2-carboxylicacid, 3-amino-5-methyl-)
749153-50-2 structure
Product Name:1H-Indole-2-carboxylicacid, 3-amino-5-methyl-
CAS No:749153-50-2
MF:C10H10N2O2
MW:190.198602199554
CID:561229
PubChem ID:22309400
Update Time:2025-04-19
1H-Indole-2-carboxylicacid, 3-amino-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylicacid, 3-amino-5-methyl-
- 1H-Indole-2-carboxylicacid,3-amino-5-methyl-(9CI)
- 3-amino-5-methyl-1H-indole-2-carboxylic acid
- AKOS006327528
- DTXSID40624582
- 749153-50-2
- 3-amino-5-methyl-1H-indole-2-carboxylicacid
-
- Inchi： 1S/C10H10N2O2/c1-5-2-3-7-6(4-5)8(11)9(12-7)10(13)14/h2-4,12H,11H2,1H3,(H,13,14)
- InChI Key： SLMVPPXKDZBQMW-UHFFFAOYSA-N
- SMILES： OC(C1=C(C2C=C(C)C=CC=2N1)N)=O
Computed Properties
- Exact Mass: 190.0743
- Monoisotopic Mass: 190.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 2.1
- Topological Polar Surface Area: 79.1?2
Experimental Properties
- PSA: 79.11
1H-Indole-2-carboxylicacid, 3-amino-5-methyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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