Cas no 187164-87-0 (1,3-Benzodioxole-5-carbonitrile, 6-amino-)
187164-87-0 structure
Product Name:1,3-Benzodioxole-5-carbonitrile, 6-amino-
CAS No:187164-87-0
MF:C8H6N2O2
MW:162.145441532135
CID:114977
PubChem ID:687979
Update Time:2025-04-18
1,3-Benzodioxole-5-carbonitrile, 6-amino- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carbonitrile, 6-amino-
- 6-Amino-1,3-benzodioxole-5-carbonitrile
- 005013
- 2-amino-4,5-methylenedioxy-benzonitrile
- 2-cyano-4,5-methylenedioxyaniline
- 5-amino-6-cyanobenzo< d> < 1,3> dioxale
- 6-amino-2H-benzo[d]1,3-dioxolane-5-carbonitrile
- 6-Amino-benzo[1,3]dioxol-5-carbonitril
- 6-amino-benzo[1,3]dioxole-5-carbonitrile
- AC1LEL28
- CTK7C7463
- HMS1630C05
- SBB002455
- STK772152
- SureCN1622661
- ZERO
- 6-Amino-1,3-benzodioxol-5-yl cyanide
- 6-Aminobenzo[d][1,3]dioxole-5-carbonitrile
- DTXSID00350774
- 1,3-Benzodioxole-5-carbonitrile, 6-amino-
- 187164-87-0
- 6-Aminobenzo[1,3]dioxole-5-carbonitrile
- AKOS005617685
- CS-0214342
- SCHEMBL1622661
-
- Inchi： 1S/C8H6N2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,4,10H2
- InChI Key： WHSLUSAPNOCFII-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C#N)C(=CC1=2)N
Computed Properties
- Exact Mass: 162.04298
- Monoisotopic Mass: 162.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 222
- 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: 68.3?2
Experimental Properties
- PSA: 68.27
1,3-Benzodioxole-5-carbonitrile, 6-amino- Related Literature
-
Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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