1-Methyl-pyrrolidine-2-carbaldehyde - CAS 13493-88-4
Catalog: |
BB060291 |
Product Name: |
1-Methyl-pyrrolidine-2-carbaldehyde |
CAS: |
13493-88-4 |
Synonyms: |
1-Methyl-2-pyrrolidinecarboxaldehyde |
IUPAC Name: | 1-methylpyrrolidine-2-carbaldehyde |
Description: | 1-Methyl-pyrrolidine-2-carbaldehyde is used in the synthesis of series of 1,4-Bis(4-piperidinylmethyl)diaminobutanes, a non-hypertensive and Ca2+ permeable AMPA receptor antagonists. |
Molecular Weight: | 113.16 |
Molecular Formula: | C6H11NO |
Canonical SMILES: | CN1CCCC1C=O |
InChI: | InChI=1S/C6H11NO/c1-7-4-2-3-6(7)5-8/h5-6H,2-4H2,1H3 |
InChI Key: | YKEKIXBCQILKAU-UHFFFAOYSA-N |
References: | Yoneda, Y., et al. Bioorg. Med. Chem. Lett., 11, 1261-1264 (2001). |
Complexity: | 92.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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