Cas no 625115-93-7 (6-amino-1-methyl-1H-Indole-3-carbonitrile)
625115-93-7 structure
Product Name:6-amino-1-methyl-1H-Indole-3-carbonitrile
CAS No:625115-93-7
MF:C10H9N3
MW:171.198561429977
CID:1115034
PubChem ID:59335124
Update Time:2025-04-20
6-amino-1-methyl-1H-Indole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-amino-1-methyl-1H-Indole-3-carbonitrile
- 6-amino-1-methylindole-3-carbonitrile
- SCHEMBL2850331
- 1H-Indole-3-carbonitrile, 6-amino-1-methyl-
- DTXSID601271008
- 625115-93-7
-
- Inchi： 1S/C10H9N3/c1-13-6-7(5-11)9-3-2-8(12)4-10(9)13/h2-4,6H,12H2,1H3
- InChI Key： HNHMMWBURNQSHP-UHFFFAOYSA-N
- SMILES： N1(C)C=C(C#N)C2C=CC(=CC1=2)N
Computed Properties
- Exact Mass: 171.07977
- Monoisotopic Mass: 171.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 242
- 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
- Topological Polar Surface Area: 54.7?2
Experimental Properties
- PSA: 54.74
6-amino-1-methyl-1H-Indole-3-carbonitrile Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
625115-93-7 (6-amino-1-methyl-1H-Indole-3-carbonitrile) Related Products
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