Cas no 83813-74-5 (1H-Pyrrole-1-propanenitrile,b-methyl-)
83813-74-5 structure
Product Name:1H-Pyrrole-1-propanenitrile,b-methyl-
CAS No:83813-74-5
MF:C8H10N2
MW:134.178401470184
CID:709342
PubChem ID:12828791
Update Time:2025-04-19
1H-Pyrrole-1-propanenitrile,b-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-propanenitrile,b-methyl-
- 1H-Pyrrole-1-propanenitrile,beta-methyl-(9CI)
- 3-(1H-Pyrrol-1-yl)butanenitrile
- 83813-74-5
- SCHEMBL2814758
- AKOS017515795
-
- Inchi： 1S/C8H10N2/c1-8(4-5-9)10-6-2-3-7-10/h2-3,6-8H,4H2,1H3
- InChI Key： BQRYAWMCOLNCRS-UHFFFAOYSA-N
- SMILES： N1(C=CC=C1)C(C)CC#N
Computed Properties
- Exact Mass: 134.084398327g/mol
- Monoisotopic Mass: 134.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 28.7?2
1H-Pyrrole-1-propanenitrile,b-methyl- Related Literature
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1. 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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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