2-(Hexahydro-1H-pyrrolizin-7a-yl)acetic Acid - CAS 94794-30-6
Catalog: |
BB064283 |
Product Name: |
2-(Hexahydro-1H-pyrrolizin-7a-yl)acetic Acid |
CAS: |
94794-30-6 |
Synonyms: |
Tetrahydro-1H-pyrrolizine-7a(5H)-acetic Acid |
IUPAC Name: | 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid |
Description: | 2-(Hexahydro-1H-pyrrolizin-7a-yl)acetic Acid is a reagent used in the preparation of new antiarrhythmic agents. |
Molecular Weight: | 169.22 |
Molecular Formula: | C9H15NO2 |
Canonical SMILES: | C1CC2(CCCN2C1)CC(=O)O |
InChI: | InChI=1S/C9H15NO2/c11-8(12)7-9-3-1-5-10(9)6-2-4-9/h1-7H2,(H,11,12) |
InChI Key: | VNCIGXSNWMPXKF-UHFFFAOYSA-N |
References: | Miyano, S., et al.; J. Med. Chem., 28, 714 (1985); Hidaka, T., et al. Oyo Yakuri, 37, 359 (1989). |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.110278721 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.7 |
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