Cas no 51839-51-1 (6-prop-2-yn-1-yl-6,7-dihydro-5H-dibenzo[c,e]azepine hydrochloride)
![6-prop-2-yn-1-yl-6,7-dihydro-5H-dibenzo[c,e]azepine hydrochloride structure](https://ossimg.kuujia.com/scimg/52000/51839-51-1x500.png)
51839-51-1 structure
Product Name:6-prop-2-yn-1-yl-6,7-dihydro-5H-dibenzo[c,e]azepine hydrochloride
CAS No:51839-51-1
MF:C17H16ClN
MW:269.768643379211
CID:1574910
PubChem ID:3040228
Update Time:2025-04-21
6-prop-2-yn-1-yl-6,7-dihydro-5H-dibenzo[c,e]azepine hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 6-prop-2-yn-1-yl-6,7-dihydro-5H-dibenzo[c,e]azepine hydrochloride
- 6-prop-2-ynyl-5,7-dihydrobenzo[d][2]benzazepine,hydrochloride
- 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(2-propynyl)-, hydrochloride
- 6,7-Dihydro-6-(2-propynyl)-5H-dibenz(c,e)azepine hydrochloride
- 6-(2-Propynyl)-6,7-dihydro-5H-dibenz(c,e)azepine hydrochloride
- DTXSID80199800
- 51839-51-1
- Propynyl dibenzazepine hydrochloride
-
- Inchi： 1S/C17H15N.ClH/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18;/h1,3-10H,11-13H2;1H
- InChI Key： PFMFPBDQWCQGNB-UHFFFAOYSA-N
- SMILES： Cl.N1(CC#C)CC2C=CC=CC=2C2C=CC=CC=2C1
Computed Properties
- Exact Mass: 269.09728
- Monoisotopic Mass: 269.0971272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 302
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
6-prop-2-yn-1-yl-6,7-dihydro-5H-dibenzo[c,e]azepine hydrochloride Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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