Cas no 30233-84-2 (Chrysenamine(7CI,8CI,9CI))
Chrysenamine(7CI,8CI,9CI) structure
Product Name:Chrysenamine(7CI,8CI,9CI)
CAS No:30233-84-2
MF:C18H13N
MW:243.302524328232
CID:318141
PubChem ID:147327
Update Time:2025-04-19
Chrysenamine(7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Chrysenamine(7CI,8CI,9CI)
- chrysen-1-amine
- Aminochrysene
- Chrysenamine
- 30233-84-2
- starbld0013902
- Chrysamin
- SCHEMBL177977
- DTXSID20184331
-
- Inchi： 1S/C18H13N/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-11H,19H2
- InChI Key： OQENBJBTQPIZKA-UHFFFAOYSA-N
- SMILES： NC1=CC=CC2C1=CC=C1C3C=CC=CC=3C=CC1=2
Computed Properties
- Exact Mass: 243.10489
- Monoisotopic Mass: 243.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 326
- 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: 4.7
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Chrysenamine(7CI,8CI,9CI) Related Literature
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1. 600. Carcinogenic nitrogen compounds. Part XXV. Steric hindrance to cyclisation of 6-aminochrysene and its derivativesG. C. Barrett,Ng. Ph. Buu-Ho? J. Chem. Soc. 1958 2946
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2. 874. Carcinogenic nitrogen compounds. Part XXVI. Nitrogenheterocyclic compounds derived from some polycyclic arylaminesNg. Ph. Buu-Ho?,G. Saint-Ruf,P. Jacquignon,G. C. Barrett J. Chem. Soc. 1958 4308
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3. Carcinogenic nitrogen compounds. Part LXXXI. Steric control in heterocyclic cyclisations with 6-substituted chrysenesD. C. Thang,C. X. Can,N. P. Buu-Ho?,P. Jacquignon J. Chem. Soc. Perkin Trans. 1 1972 1932
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Mohammed Abdelhameed,Shawkat Aly,Partha Maity,Emad Manni,Omar F. Mohammed,Paul A. Charpentier Phys. Chem. Chem. Phys. 2019 21 17096
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Christopher F. Blanford,Carina E. Foster,Rachel S. Heath,Fraser A. Armstrong Faraday Discuss. 2009 140 319
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