Cas no 57247-61-7 (1H-1,4-Benzodiazepinium,1,4-diethyl-2,3,4,5-tetrahydro-4-methyl-, iodide (1:1))
57247-61-7 structure
Product Name:1H-1,4-Benzodiazepinium,1,4-diethyl-2,3,4,5-tetrahydro-4-methyl-, iodide (1:1)
CAS No:57247-61-7
MF:C14H23IN2
MW:346.250295877457
CID:385430
PubChem ID:24198340
Update Time:2025-04-19
1H-1,4-Benzodiazepinium,1,4-diethyl-2,3,4,5-tetrahydro-4-methyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,4-Benzodiazepinium,1,4-diethyl-2,3,4,5-tetrahydro-4-methyl-, iodide (1:1)
- 1,4-diethyl-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-ium,iodide
- NSC293797
- NSC-293797
- 1,4-Diethyl-4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium iodide
- DTXSID60639113
- CHEMBL3250134
- 57247-61-7
-
- Inchi： 1S/C14H23N2.HI/c1-4-15-10-11-16(3,5-2)12-13-8-6-7-9-14(13)15;/h6-9H,4-5,10-12H2,1-3H3;1H/q+1;/p-1
- InChI Key： IANATHYCSMDLHC-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(CC)CC2C=CC=CC=2N(CC)CC1
Computed Properties
- Exact Mass: 219.18629
- Monoisotopic Mass: 346.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 229
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 3.24
- LogP: -0.47920
1H-1,4-Benzodiazepinium,1,4-diethyl-2,3,4,5-tetrahydro-4-methyl-, iodide (1:1) Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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