Cas no 67083-70-9 ([(2,3-dimethylphenyl)amino]acetonitrile)
67083-70-9 structure
Product Name:[(2,3-dimethylphenyl)amino]acetonitrile
CAS No:67083-70-9
MF:C10H12N2
MW:160.215682029724
CID:965354
PubChem ID:3017727
Update Time:2025-04-19
[(2,3-dimethylphenyl)amino]acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- [(2,3-dimethylphenyl)amino]acetonitrile
- ((2,3-Dimethylphenyl)amino)acetonitrile
- 2-(2,3-dimethylanilino)acetonitrile
- 67083-70-9
- 2-[(2,3-DIMETHYLPHENYL)AMINO]ACETONITRILE
- NS00053753
- QAP2ABS28E
- Acetonitrile, 2-[(2,3-dimethylphenyl)amino]-
- SCHEMBL9654816
- (2,3-Dimethylanilino)acetonitrile
- AKOS000258741
- EINECS 266-567-3
- DTXSID20986115
- YWJMVRHCDGQFNQ-UHFFFAOYSA-N
-
- Inchi: 1S/C10H12N2/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3-5,12H,7H2,1-2H3
- InChI Key: YWJMVRHCDGQFNQ-UHFFFAOYSA-N
- SMILES: N(CC#N)C1C=CC=C(C)C=1C
Computed Properties
- Exact Mass: 160.10016
- Monoisotopic Mass: 160.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 180
- 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: 2.4
- Topological Polar Surface Area: 35.8?2
Experimental Properties
- PSA: 35.82
[(2,3-dimethylphenyl)amino]acetonitrile Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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