Cas no 93578-22-4 (1,3-Benzodioxol-5-amine, 6-(2-propenyl)-)
93578-22-4 structure
Product Name:1,3-Benzodioxol-5-amine, 6-(2-propenyl)-
CAS No:93578-22-4
MF:C10H11NO2
MW:177.199842691422
CID:752645
PubChem ID:11446655
Update Time:2024-03-01
1,3-Benzodioxol-5-amine, 6-(2-propenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzodioxol-5-amine, 6-(2-propenyl)-
- 6-prop-2-enyl-1,3-benzodioxol-5-amine
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- Inchi： 1S/C10H11NO2/c1-2-3-7-4-9-10(5-8(7)11)13-6-12-9/h2,4-5H,1,3,6,11H2
- InChI Key： TULQBWADWRIPJE-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C(CC=C)=CC1=2)N
Computed Properties
- Exact Mass: 177.078978594g/mol
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 195
- 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
- Topological Polar Surface Area: 44.5
- XLogP3: 2.1
1,3-Benzodioxol-5-amine, 6-(2-propenyl)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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