Cas no 344340-76-7 (1,4-Benzodioxin-5,8-diamine, 2,3-dihydro-)
344340-76-7 structure
Product Name:1,4-Benzodioxin-5,8-diamine, 2,3-dihydro-
CAS No:344340-76-7
MF:C8H10N2O2
MW:166.177201747894
CID:1461948
PubChem ID:9855569
Update Time:2025-04-20
1,4-Benzodioxin-5,8-diamine, 2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodioxin-5,8-diamine, 2,3-dihydro-
- SCHEMBL130553
- 2,3-Dihydrobenzo[b][1,4]dioxine-5,8-diamine
- 344340-76-7
-
- Inchi: 1S/C8H10N2O2/c9-5-1-2-6(10)8-7(5)11-3-4-12-8/h1-2H,3-4,9-10H2
- InChI Key: OBTGBAVJKZORLW-UHFFFAOYSA-N
- SMILES: O1CCOC2C(=CC=C(C1=2)N)N
Computed Properties
- Exact Mass: 166.0743
- Monoisotopic Mass: 166.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 147
- 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: 0.3
- Topological Polar Surface Area: 70.5?2
Experimental Properties
- PSA: 70.5
1,4-Benzodioxin-5,8-diamine, 2,3-dihydro- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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