Cas no 73629-39-7 (1,2-Benzenedicarbonitrile, 3,6-diamino-)
73629-39-7 structure
Product Name:1,2-Benzenedicarbonitrile, 3,6-diamino-
CAS No:73629-39-7
MF:C8H6N4
MW:158.160040378571
CID:553558
PubChem ID:45122135
Update Time:2025-04-19
1,2-Benzenedicarbonitrile, 3,6-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 3,6-diamino-
- 73629-39-7
- 3,6-Diaminophthalonitrile
-
- Inchi： 1S/C8H6N4/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2H,11-12H2
- InChI Key： DWDOUPCIQODOIY-UHFFFAOYSA-N
- SMILES： NC1C=CC(=C(C#N)C=1C#N)N
Computed Properties
- Exact Mass: 158.059
- Monoisotopic Mass: 158.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 227
- 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
- Topological Polar Surface Area: 99.6A^2
- XLogP3: 1.1
1,2-Benzenedicarbonitrile, 3,6-diamino- Related Literature
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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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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
73629-39-7 (1,2-Benzenedicarbonitrile, 3,6-diamino-) Related Products
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- 14346-13-5(2,5-Diaminobenzonitrile)
- 90557-26-9(2-Amino-3,6-dimethyl-benzonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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