Cas no 62491-93-4 (Acetonitrile, (3-pyridinylamino)-)
62491-93-4 structure
Product Name:Acetonitrile, (3-pyridinylamino)-
CAS No:62491-93-4
MF:C7H7N3
MW:133.150580644608
CID:442903
PubChem ID:24972763
Update Time:2025-04-19
Acetonitrile, (3-pyridinylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, (3-pyridinylamino)-
- 2-(pyridin-3-ylamino)acetonitrile
- (3-pyridinylamino)acetonitrile
- [(Pyridin-3-yl)amino]acetonitrile
- AKOS006359542
- 62491-93-4
- DTXSID30648156
-
- Inchi： 1S/C7H7N3/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6,10H,5H2
- InChI Key： HOKGIJPZHVQMJD-UHFFFAOYSA-N
- SMILES： N(CC#N)C1C=NC=CC=1
Computed Properties
- Exact Mass: 133.06411
- Monoisotopic Mass: 133.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 135
- 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: 0.6
- Topological Polar Surface Area: 48.7?2
Experimental Properties
- PSA: 48.71
Acetonitrile, (3-pyridinylamino)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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