Cas no 392312-36-6 (2-methyl-1H-Pyrrole-1-ethanamine)
392312-36-6 structure
Product Name:2-methyl-1H-Pyrrole-1-ethanamine
CAS No:392312-36-6
MF:C7H12N2
MW:124.183581352234
CID:299278
Update Time:2024-01-27
2-methyl-1H-Pyrrole-1-ethanamine Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-1H-Pyrrole-1-ethanamine
- 1H-Pyrrole-1-ethanamine,2-methyl-(9CI)
- 1H-Pyrrole-1-ethanamine,2-methyl-
- 2-(2-Methyl-1H-pyrrol-1-yl)ethanamine
- 1H-Pyrrole-1-ethanamine, 2-methyl-
-
- Inchi： 1S/C7H12N2/c1-7-3-2-5-9(7)6-4-8/h2-3,5H,4,6,8H2,1H3
- InChI Key： ANGBOGQCHZMPSA-UHFFFAOYSA-N
- SMILES： N1(CCN)C=CC=C1C
Computed Properties
- Exact Mass: 124.10016
- Monoisotopic Mass: 124.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 83
- 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
Experimental Properties
- Density: 1.00±0.1 g/cm3(Predicted)
- Boiling Point: 214.6±23.0 °C(Predicted)
- PSA: 30.95
- pka: 7.54±0.10(Predicted)
2-methyl-1H-Pyrrole-1-ethanamine Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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