Cas no 861033-68-3 (1H-Pyrrol-2-amine,3,4-diethyl-5-methyl-)
861033-68-3 structure
Product Name:1H-Pyrrol-2-amine,3,4-diethyl-5-methyl-
CAS No:861033-68-3
MF:C9H16N2
MW:152.236742019653
CID:718215
Update Time:2024-01-31
1H-Pyrrol-2-amine,3,4-diethyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrol-2-amine,3,4-diethyl-5-methyl-
- Pyrrole, 2-amino-3,4-diethyl-5-methyl- (4CI)
- Pyrrole, 2-amino-3,4-diethyl-5-methyl- (4CI)
- 1H-Pyrrol-2-amine, 3,4-diethyl-5-methyl-
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- Inchi: 1S/C9H16N2/c1-4-7-6(3)11-9(10)8(7)5-2/h11H,4-5,10H2,1-3H3
- InChI Key: WMZJWOAPDRUODN-UHFFFAOYSA-N
- SMILES: N1C(C)=C(CC)C(CC)=C1N
Computed Properties
- Exact Mass: 152.131
- Monoisotopic Mass: 152.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 125
- 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: 41.8A^2
1H-Pyrrol-2-amine,3,4-diethyl-5-methyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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