Cas no 70319-60-7 (1,3,4-trimethyl-1h-pyrrole-2-carbonitrile)
70319-60-7 structure
Product Name:1,3,4-trimethyl-1h-pyrrole-2-carbonitrile
CAS No:70319-60-7
MF:C8H10N2
MW:134.178401470184
CID:974967
Update Time:2024-03-05
1,3,4-trimethyl-1h-pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 1,3,4-trimethyl-1h-pyrrole-2-carbonitrile
- 1H-Pyrrole-2-carbonitrile,1,3,4-trimethyl-(9CI)
- 1,3,4-Trimethyl-piperazin-2,5-dion
- 1,3,4-trimethyl-piperazine-2,5-dione
- 1,3,4-TRIMETHYLPIPERAZINE-2,5-DIONE
- 1,3,4-Trimethylpyrrol-2-carbonitril
- 1,3,4-trimethyl-pyrrole-2-carbonitrile
- 1H-Pyrrole-2-carbonitrile, 1,3,4-trimethyl-
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- Inchi: 1S/C8H10N2/c1-6-5-10(3)8(4-9)7(6)2/h5H,1-3H3
- InChI Key: VTNXGDAOHQYWPN-UHFFFAOYSA-N
- SMILES: N1(C)C=C(C)C(C)=C1C#N
Computed Properties
- Exact Mass: 134.084
- Monoisotopic Mass: 134.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 167
- 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
- Topological Polar Surface Area: 28.7A^2
1,3,4-trimethyl-1h-pyrrole-2-carbonitrile Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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