Cas no 741223-01-8 (2H-1,5-Benzodioxepin-6,9-diamine, 3,4-dihydro-)
741223-01-8 structure
Product Name:2H-1,5-Benzodioxepin-6,9-diamine, 3,4-dihydro-
CAS No:741223-01-8
MF:C9H12N2O2
MW:180.203782081604
CID:541546
PubChem ID:17990684
Update Time:2025-04-19
2H-1,5-Benzodioxepin-6,9-diamine, 3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodioxepin-6,9-diamine, 3,4-dihydro-
- 3,4-dihydro-2H-1,5-benzodioxepine-6,9-diamine
- 741223-01-8
- SCHEMBL5151322
- DTXSID10592002
-
- Inchi： 1S/C9H12N2O2/c10-6-2-3-7(11)9-8(6)12-4-1-5-13-9/h2-3H,1,4-5,10-11H2
- InChI Key： NAWIALJLJFDLIY-UHFFFAOYSA-N
- SMILES： O1C2C(=CC=C(C=2OCCC1)N)N
Computed Properties
- Exact Mass: 180.089877630g/mol
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 159
- 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: 0.6
- Topological Polar Surface Area: 70.5?2
2H-1,5-Benzodioxepin-6,9-diamine, 3,4-dihydro- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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