Cas no 88779-97-9 (1,3-Benzenedicarbonitrile, 2-amino-5-methyl-)
88779-97-9 structure
Product Name:1,3-Benzenedicarbonitrile, 2-amino-5-methyl-
CAS No:88779-97-9
MF:C9H7N3
MW:157.171981096268
CID:621623
PubChem ID:14198845
Update Time:2025-04-19
1,3-Benzenedicarbonitrile, 2-amino-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 2-amino-5-methyl-
- 2-amino-5-methylbenzene-1,3-dicarbonitrile
- 1,3-Benzenedicarbonitrile,2-amino-5-methyl
- 2-amino-5-methylisophthalonitrile
- Benzenamine-2,6-dicyano-4-methyl
- SCHEMBL9475769
- 88779-97-9
- DTXSID70557273
-
- Inchi： 1S/C9H7N3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3H,12H2,1H3
- InChI Key： TUHHSODDHFDRGR-UHFFFAOYSA-N
- SMILES： NC1C(C#N)=CC(C)=CC=1C#N
Computed Properties
- Exact Mass: 157.06400
- Monoisotopic Mass: 157.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- 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
- XLogP3: 1.6
- Topological Polar Surface Area: 73.6?2
Experimental Properties
- PSA: 73.60000
- LogP: 1.90176
1,3-Benzenedicarbonitrile, 2-amino-5-methyl- Related Literature
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
88779-97-9 (1,3-Benzenedicarbonitrile, 2-amino-5-methyl-) Related Products
- 1885-29-6(Anthranilonitrile)
- 74896-24-5(4-Amino-3,5-dimethylbenzonitrile)
- 5925-93-9(2-Amino-5-methylbenzonitrile)
- 63069-52-3(2-Aminoisophthalonitrile)
- 78881-21-7(4-Amino-3-methylbenzonitrile)
- 75636-88-3(1,4-Benzenedicarbonitrile, 2,5-diamino-)
- 60710-80-7(3-Amino-4-methylbenzonitrile)
- 26830-96-6(2-Amino-4-methylbenzonitrile)
- 14346-13-5(2,5-Diaminobenzonitrile)
- 19619-22-8(4-aminobenzene-1,3-dicarbonitrile)
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