Cas no 154287-01-1 (1-butyl-1h-indole-3-carboxylic Acid)
154287-01-1 structure
Product Name:1-butyl-1h-indole-3-carboxylic Acid
CAS No:154287-01-1
MF:C13H15NO2
MW:217.263703584671
CID:1328188
PubChem ID:10376290
Update Time:2025-04-20
1-butyl-1h-indole-3-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 1-butyl-1h-indole-3-carboxylic Acid
- 1-(n-Butyl)-3-nitroguanidin
- 1-Butyl-3-nitroguanidine
- 1-(n-butyl)indole-3-carboxylic acid
- JFD00695
- AC1L3RXF
- CCG-46708
- N-butyl-N'-nitro-guanidine
- 1-but-1-yl-1H-indole-3-carboxylic acid
- N-Butyl-N'-nitroguanidine
- 3-Nitro-1-n-butyl-guanidin
- Guanidine, N-butyl-N'-nitro-
- UKRORGSYN-BB BBV-153638
- 1-BUTYLINDOLE-3-CARBOXYLIC ACID
- SCHEMBL7347589
- 1-but-1-yl -1H-indole-3-carboxylic acid
- 1-butyl-3-indolecarboxylic acid
- 154287-01-1
- FCDUTQOVTAGBSP-UHFFFAOYSA-N
- AKOS000263138
-
- Inchi： 1S/C13H15NO2/c1-2-3-8-14-9-11(13(15)16)10-6-4-5-7-12(10)14/h4-7,9H,2-3,8H2,1H3,(H,15,16)
- InChI Key： FCDUTQOVTAGBSP-UHFFFAOYSA-N
- SMILES： OC(C1=CN(C2C=CC=CC=21)CCCC)=O
Computed Properties
- Exact Mass: 217.110278721g/mol
- Monoisotopic Mass: 217.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 254
- 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: 2.7
- Topological Polar Surface Area: 42.2?2
1-butyl-1h-indole-3-carboxylic Acid Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
154287-01-1 (1-butyl-1h-indole-3-carboxylic Acid) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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