Cas no 34211-88-6 (1H-Pyrrole-2,5-diacetonitrile)
1H-Pyrrole-2,5-diacetonitrile structure
Product Name:1H-Pyrrole-2,5-diacetonitrile
1H-Pyrrole-2,5-diacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,5-diacetonitrile
- 2,2''-(1H-pyrrole-2,5-diyl)diacetonitrile
- 2-[5-(cyanomethyl)-1H-pyrrol-2-yl]acetonitrile
- 2,5-Bis(cyanmethyl)pyrrol
- 2,5-bis(cyanomethyl)pyrrole
- AC1L5UUV
- AG-K-87900
- AR-1L2848
- CTK4H1923
- NSC134508
- Pyrrole-2,5-diacetonitrile
- pyrrole-2,5-diyl-bis-acetonitrile
- UNII-U9R27HK7KV
- 34211-88-6
- DTXSID90300061
- U9R27HK7KV
- NSC-134508
- DS-012405
- 2-(5-(Cyanomethyl)-1H-pyrrol-2-yl)acetonitrile
-
- Inchi： 1S/C8H7N3/c9-5-3-7-1-2-8(11-7)4-6-10/h1-2,11H,3-4H2
- InChI Key： ZYFDHDRFNKOVHN-UHFFFAOYSA-N
- SMILES： N1C(CC#N)=CC=C1CC#N
Computed Properties
- Exact Mass: 145.06411
- Monoisotopic Mass: 145.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 192
- 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: 0.1
- Topological Polar Surface Area: 63.4?2
Experimental Properties
- Density: 1.208
- Boiling Point: 366.5°C at 760 mmHg
- Flash Point: 125.8°C
- Refractive Index: 1.573
- PSA: 63.37
- LogP: 1.14686
1H-Pyrrole-2,5-diacetonitrile Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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