Cas no 70682-31-4 (N-(benzo[pqr]tetraphen-6-ylmethyl)-N,N-diethylethanaminium chloride)
![N-(benzo[pqr]tetraphen-6-ylmethyl)-N,N-diethylethanaminium chloride structure](https://ossimg.kuujia.com/scimg/71000/70682-31-4x500.png)
70682-31-4 structure
Product Name:N-(benzo[pqr]tetraphen-6-ylmethyl)-N,N-diethylethanaminium chloride
CAS No:70682-31-4
MF:C27H28ClN
MW:401.97092628479
CID:1746090
PubChem ID:188099
Update Time:2025-04-21
N-(benzo[pqr]tetraphen-6-ylmethyl)-N,N-diethylethanaminium chloride Chemical and Physical Properties
Names and Identifiers
-
- N-(benzo[pqr]tetraphen-6-ylmethyl)-N,N-diethylethanaminium chloride
- Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride
- 70682-31-4
- N-[(Benzo[pqr]tetraphen-6-yl)methyl]-N,N-diethylethanaminium chloride
- DTXSID30990920
-
- Inchi： 1S/C27H28N.ClH/c1-4-28(5-2,6-3)18-25-22-13-8-7-12-21(22)23-16-14-19-10-9-11-20-15-17-24(25)27(23)26(19)20;/h7-17H,4-6,18H2,1-3H3;1H/q+1;/p-1
- InChI Key： CMXABWKPPMVEDB-UHFFFAOYSA-M
- SMILES： [Cl-].[N+](CC)(CC)(CC)CC1C2C=CC=CC=2C2C=CC3=CC=CC4C=CC=1C=2C=43
Computed Properties
- Exact Mass: 372.972
- Monoisotopic Mass: 401.1910276g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 528
- 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: 0?2
Experimental Properties
- PSA: 0
N-(benzo[pqr]tetraphen-6-ylmethyl)-N,N-diethylethanaminium chloride Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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