1-[1-(4-Ethylphenyl)pyrrolidin-3-yl]methanamine Oxalate - CAS 1177361-24-8
Catalog: |
BB065545 |
Product Name: |
1-[1-(4-Ethylphenyl)pyrrolidin-3-yl]methanamine Oxalate |
CAS: |
1177361-24-8 |
Synonyms: |
1-(4-Ethylphenyl)-3-pyrrolidinemethanamine Ethanedioate |
IUPAC Name: | [1-(4-ethylphenyl)pyrrolidin-3-yl]methanamineoxalic acid |
Description: | 1-[1-(4-Ethylphenyl)pyrrolidin-3-yl]methanamine Oxalate |
Molecular Weight: | 204.31 +(90.03) |
Molecular Formula: | C13H20N2·C2H2O4 |
Canonical SMILES: | CCC1=CC=C(C=C1)N2CCC(C2)CN.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C13H20N2.C2H2O4/c1-2-11-3-5-13(6-4-11)15-8-7-12(9-14)10-153-1(4)2(5)6/h3-6,12H,2,7-10,14H2,1H3(H,3,4)(H,5,6) |
InChI Key: | QSQBSVLPZUHLPD-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.15795719 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.15795719 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 104Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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