Cas no 82507-21-9 (Benzo[a]pyren-4-amine)
![Benzo[a]pyren-4-amine structure](https://ossimg.kuujia.com/scimg/83000/82507-21-9x500.png)
Benzo[a]pyren-4-amine structure
Product Name:Benzo[a]pyren-4-amine
Benzo[a]pyren-4-amine Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyren-4-amine
- 4-Aminobenzo(a)pyrene
- 82507-21-9
- Benzo(a)pyrene-4-amine
- BENZO(a)PYREN-4-AMINE
- BJHPDTFXCVOKGZ-UHFFFAOYSA-N
- Benzo[a]pyrene, 7-amino
- DTXSID00231812
-
- Inchi： 1S/C20H13N/c21-18-11-14-10-13-4-1-2-6-15(13)16-9-8-12-5-3-7-17(18)19(12)20(14)16/h1-11H,21H2
- InChI Key： BJHPDTFXCVOKGZ-UHFFFAOYSA-N
- SMILES： NC1=CC2=CC3C=CC=CC=3C3=CC=C4C=CC=C1C4=C32
Computed Properties
- Exact Mass: 267.104799
- Monoisotopic Mass: 267.104799
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 405
- 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: 5.6
- Topological Polar Surface Area: 26
Experimental Properties
- Density: 1.347
- Boiling Point: 530°C at 760 mmHg
- Flash Point: 306°C
- Refractive Index: 1.931
Benzo[a]pyren-4-amine Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
82507-21-9 (Benzo[a]pyren-4-amine) Related Products
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