Cas no 76566-50-2 (Ferrocene,[(1H-purin-6-ylamino)methyl]- (9CI))
![Ferrocene,[(1H-purin-6-ylamino)methyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/77000/76566-50-2x500.png)
76566-50-2 structure
Product Name:Ferrocene,[(1H-purin-6-ylamino)methyl]- (9CI)
CAS No:76566-50-2
MF:C16H7FeN5
MW:325.105283021927
CID:574403
PubChem ID:5150361
Update Time:2025-04-19
Ferrocene,[(1H-purin-6-ylamino)methyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ferrocene,[(1H-purin-6-ylamino)methyl]- (9CI)
- cyclopenta-1,3-diene,N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-6-amine,iron
- N(6)-ferrocenylmethyladenine
- NSC354476
- 76566-50-2
- NSC-354476
-
- Inchi： 1S/C11H6N5.C5H.Fe/c1-2-4-8(3-1)5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-4-5-3-1;/h6-7H,5H2,(H2,12,13,14,15,16);1H;/q2*-5;
- InChI Key： URJBLCKONPYMLN-UHFFFAOYSA-N
- SMILES： [Fe].N(C1C2=C(N=CN2)N=CN=1)C[C-]1[C-]=[C-][C-]=[C-]1.[CH-]1[C-]=[C-][C-]=[C-]1
Computed Properties
- Exact Mass: 325.00500
- Monoisotopic Mass: 325.005081g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 424
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- PSA: 66.49000
- LogP: 2.13550
Ferrocene,[(1H-purin-6-ylamino)methyl]- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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