N-[(1-Methyl-1H-pyrazol-4-yl)methyl]ethanamine - CAS 949095-17-4
Catalog: |
BB063811 |
Product Name: |
N-[(1-Methyl-1H-pyrazol-4-yl)methyl]ethanamine |
CAS: |
949095-17-4 |
Synonyms: |
N-Ethyl-1-methyl-1H-pyrazole-4-methanamine; N-Ethyl((1-methyl-1H-pyrazol-4-yl)methyl)amine |
IUPAC Name: | N-[(1-methylpyrazol-4-yl)methyl]ethanamine |
Description: | N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine is a useful reagent in the preparation of sulfamides, sulfamates and sulfonamides via sulfur-fluoride exchange activation with amines using calcium triflimide and DABCO. |
Molecular Weight: | 139.19 |
Molecular Formula: | C7H13N3 |
Canonical SMILES: | CCNCC1=CN(N=C1)C |
InChI: | InChI=1S/C7H13N3/c1-3-8-4-7-5-9-10(2)6-7/h5-6,8H,3-4H2,1-2H3 |
InChI Key: | WODLNVYLYQXAOH-UHFFFAOYSA-N |
References: | Mahapatra, S., et al. ChemRxiv, 1 (2020). |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.110947427 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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