1-(4-tert-butylphenyl)pyrrolidine-2-carbaldehyde - CAS 1890231-81-8
Catalog: |
BB014578 |
Product Name: |
1-(4-tert-butylphenyl)pyrrolidine-2-carbaldehyde |
CAS: |
1890231-81-8 |
Synonyms: |
1-(4-tert-butylphenyl)-2-pyrrolidinecarboxaldehyde; 1-(4-tert-butylphenyl)pyrrolidine-2-carbaldehyde |
IUPAC Name: | 1-(4-tert-butylphenyl)pyrrolidine-2-carbaldehyde |
Description: | 1-(4-tert-butylphenyl)pyrrolidine-2-carbaldehyde (CAS# 1890231-81-8 ) is a useful research chemical. |
Molecular Weight: | 231.339 |
Molecular Formula: | C15H21NO |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)N2CCCC2C=O |
InChI: | InChI=1S/C15H21NO/c1-15(2,3)12-6-8-13(9-7-12)16-10-4-5-14(16)11-17/h6-9,11,14H,4-5,10H2,1-3H3 |
InChI Key: | RJGXJABFOWVDJW-UHFFFAOYSA-N |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.162314293 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.162314293 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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