Cas no 21889-04-3 (6-Dimethylamino-chrysen)
6-Dimethylamino-chrysen structure
Product Name:6-Dimethylamino-chrysen
CAS No:21889-04-3
MF:C20H17N
MW:271.355684995651
CID:912093
PubChem ID:270433
Update Time:2025-04-19
6-Dimethylamino-chrysen Chemical and Physical Properties
Names and Identifiers
-
- 6-Dimethylamino-chrysen
- 6-Dimethylamino-9-(2-fluorobenzyl)-9H-purine
- 9H-Purin-6-amine, 9-[(2-fluorophenyl)methyl]-N,N-dimethyl-
- ACMC-20m47c
- AGN-PC-0005K8
- CHEBI:101287
- CHEMBL6917
- CTK0G8404
- NSC-112850
- NCGC00184144-01
- NSC112850
- Chrysene, 6-N,N-dimethylamino
- DTXSID10944486
- 21889-04-3
- NCGC00184144-02
- CHEMBL1885916
- n,n-dimethylchrysen-6-amine
- NCGC00184144-03
-
- Inchi： 1S/C20H17N/c1-21(2)20-13-19-15-8-4-3-7-14(15)11-12-17(19)16-9-5-6-10-18(16)20/h3-13H,1-2H3
- InChI Key： KITBWZDVSYUSPF-UHFFFAOYSA-N
- SMILES： N(C)(C)C1C=C2C3C=CC=CC=3C=CC2=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 271.13600
- Monoisotopic Mass: 271.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 363
- 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: 5.8
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- Density: 1.18
- Boiling Point: 468.9°C at 760 mmHg
- Flash Point: 187.2°C
- Refractive Index: 1.755
- PSA: 3.24000
- LogP: 5.21220
6-Dimethylamino-chrysen Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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