Cas no 72811-36-0 (3,4-diphenyl-1-azabicyclo[2.2.2]octane hydrochloride)
![3,4-diphenyl-1-azabicyclo[2.2.2]octane hydrochloride structure](https://ossimg.kuujia.com/scimg/73000/72811-36-0x500.png)
72811-36-0 structure
Product Name:3,4-diphenyl-1-azabicyclo[2.2.2]octane hydrochloride
CAS No:72811-36-0
MF:C19H22ClN
MW:299.837684154511
CID:1757621
PubChem ID:3055749
Update Time:2025-04-21
3,4-diphenyl-1-azabicyclo[2.2.2]octane hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 3,4-diphenyl-1-azabicyclo[2.2.2]octane hydrochloride
- Chlorhydrate de diphenyl-3,4 aza-1 bicyclo(2.2.2)octane [French]
- 3,4-Diphenyl-1-azabicyclo[2.2.2]octane--hydrogen chloride (1/1)
- DTXSID40993609
- 3,4-Diphenyl-1-azabicyclo(2.2.2)octane hydrochloride
- Chlorhydrate de diphenyl-3,4 aza-1 bicyclo(2.2.2)octane
- 1-Azabicyclo(2.2.2)octane, 3,4-diphenyl-, hydrochloride
- 72811-36-0
-
- Inchi： 1S/C19H21N.ClH/c1-3-7-16(8-4-1)18-15-20-13-11-19(18,12-14-20)17-9-5-2-6-10-17;/h1-10,18H,11-15H2;1H
- InChI Key： ODQUYWKKXZFNEJ-UHFFFAOYSA-N
- SMILES： Cl.N12CCC(C3C=CC=CC=3)(CC1)C(C1C=CC=CC=1)C2
Computed Properties
- Exact Mass: 299.14426
- Monoisotopic Mass: 299.144
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 317
- 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: 3.2?2
Experimental Properties
- Boiling Point: 374.5°C at 760 mmHg
- Flash Point: 162.1°C
- PSA: 3.24
3,4-diphenyl-1-azabicyclo[2.2.2]octane hydrochloride Related Literature
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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