Cas no 89026-20-0 (1H-Imidazole-5-ethanamine,2-amino-4-methyl-)
89026-20-0 structure
Product Name:1H-Imidazole-5-ethanamine,2-amino-4-methyl-
CAS No:89026-20-0
MF:C6H12N4
MW:140.186280250549
CID:726320
Update Time:2024-01-31
1H-Imidazole-5-ethanamine,2-amino-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-ethanamine,2-amino-4-methyl-
- 4-(2-aminoethyl)-5-methyl-1H-imidazol-2-amine
- 4-(2-AMINO-ETHYL)-5-METHYL-1H-IMIDAZOL-2-YLAMINE
- 1H-Imidazole-5-ethanamine,2-amino-4-methyl
- 2-Amino-5-methylhistamine
- 1H-Imidazole-4-ethanamine, 2-amino-5-methyl-
- 1H-Imidazole-5-ethanamine, 2-amino-4-methyl-
-
- Inchi： 1S/C6H12N4/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H3,8,9,10)
- InChI Key： NMHCNWRIEUCNEX-UHFFFAOYSA-N
- SMILES： C1(N)NC(CCN)=C(C)N=1
Computed Properties
- Exact Mass: 140.10600
- Monoisotopic Mass: 140.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 106
- 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: 1.208
- Boiling Point: 382.6°C at 760 mmHg
- Flash Point: 213.3°C
- Refractive Index: 1.623
- PSA: 80.72000
- LogP: 1.08300
- pka: 16.01±0.10(Predicted)
1H-Imidazole-5-ethanamine,2-amino-4-methyl- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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