Cas no 57247-60-6 (1H-1,4-Benzodiazepine, 1,4-diethyl-2,3,4,5-tetrahydro-)
57247-60-6 structure
Product Name:1H-1,4-Benzodiazepine, 1,4-diethyl-2,3,4,5-tetrahydro-
CAS No:57247-60-6
MF:C13H20N2
MW:204.311303138733
CID:346026
PubChem ID:20646584
Update Time:2025-04-19
1H-1,4-Benzodiazepine, 1,4-diethyl-2,3,4,5-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,4-Benzodiazepine, 1,4-diethyl-2,3,4,5-tetrahydro-
- 1,4-diethyl-3,5-dihydro-2H-1,4-benzodiazepine
- SCHEMBL18134867
- 57247-60-6
- 1,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
- DTXSID50609244
-
- Inchi： 1S/C13H20N2/c1-3-14-9-10-15(4-2)13-8-6-5-7-12(13)11-14/h5-8H,3-4,9-11H2,1-2H3
- InChI Key： KOLSWCJZPKTQOG-UHFFFAOYSA-N
- SMILES： N1(CC)CC2C=CC=CC=2N(CC)CC1
Computed Properties
- Exact Mass: 204.1628
- Monoisotopic Mass: 204.162648646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 2.4
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
1H-1,4-Benzodiazepine, 1,4-diethyl-2,3,4,5-tetrahydro- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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