Ethyl 2-Amino-1-methyl-1H-pyrrole-3-carboxylate - CAS 108290-89-7
Catalog: |
BB065921 |
Product Name: |
Ethyl 2-Amino-1-methyl-1H-pyrrole-3-carboxylate |
CAS: |
108290-89-7 |
Synonyms: |
Ethyl 2-amino-1-methyl-1H-pyrrole-3-carboxylate; ethyl 2-amino-1-methylpyrrole-3-carboxylate; 2-Amino-1-methyl-1H-pyrrole-3-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-amino-1-methylpyrrole-3-carboxylate |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(N(C=C1)C)N |
InChI: | InChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5-10(2)7(6)9/h4-5H,3,9H2,1-2H3 |
InChI Key: | JSMBOTSRHVTKMK-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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