Cas no 196091-24-4 (1,3-Benzodioxol-5-amine, 4-methyl-)
196091-24-4 structure
Product Name:1,3-Benzodioxol-5-amine, 4-methyl-
CAS No:196091-24-4
MF:C8H9NO2
MW:151.162562131882
CID:116881
PubChem ID:18785138
Update Time:2025-04-18
1,3-Benzodioxol-5-amine, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxol-5-amine, 4-methyl-
- 1,3-Benzodioxol-5-amine, 4-methyl-
- 4-methyl-1,3-benzodioxol-5-amine
- SCHEMBL2195125
- 196091-24-4
-
- Inchi： 1S/C8H9NO2/c1-5-6(9)2-3-7-8(5)11-4-10-7/h2-3H,4,9H2,1H3
- InChI Key： BPVKCORYABDPHD-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C(C)=C12)N
Computed Properties
- Exact Mass: 151.06337
- Monoisotopic Mass: 151.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 151
- 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: 1.4
- Topological Polar Surface Area: 44.5?2
Experimental Properties
- PSA: 44.48
1,3-Benzodioxol-5-amine, 4-methyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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