2-(2-Methyl-1H-imidazol-1-yl)ethanamine - CAS 113741-01-8
Catalog: |
BB003214 |
Product Name: |
2-(2-Methyl-1H-imidazol-1-yl)ethanamine |
CAS: |
113741-01-8 |
Synonyms: |
1H-imidazole-1-ethanamine, 2-methyl-; 2-(2-Methyl-imidazol-1-yl)-ethylamine; 2-(2-methyl-1H-imidazol-1-yl)ethan-1-amine; 2-Methyl-1H-imidazole-1-ethylamine; 2-(2-methyl-1H-imidazol-1-yl)ethylamine; 2-(2-methylimidazolyl)ethylamine; 1-aminoethyl-2-methylimidazole |
Related CAS: | 858513-10-7 (dihydrochloride) 167298-64-8 (monohydrochloride)
|
IUPAC Name: | 2-(2-methylimidazol-1-yl)ethanamine |
Description: | 2-(2-Methyl-1H-imidazol-1-yl)ethanamine (CAS# 113741-01-8) is a useful research chemical. |
Molecular Weight: | 125.17 |
Molecular Formula: | C6H11N3 |
Canonical SMILES: | CC1=NC=CN1CCN |
InChI: | InChI=1S/C6H11N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4,7H2,1H3 |
InChI Key: | QKVROWZQJVDFSO-UHFFFAOYSA-N |
Boiling Point: | 273.6±23.0 °C (Predicted) |
Melting Point: | 116-120 °C |
Purity: | ≥ 95 % |
Density: | 1.11±0.1 g/cm3 (Predicted) |
Appearance: | Solid |
LogP: | 0.85050 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 84.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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Amines and Anilines
Imidazoles
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