1-(3,4-Dimethoxyphenyl)cyclobutanemethanamine - CAS 927993-44-0
Catalog: |
BB040638 |
Product Name: |
1-(3,4-Dimethoxyphenyl)cyclobutanemethanamine |
CAS: |
927993-44-0 |
Synonyms: |
[1-(3,4-dimethoxyphenyl)cyclobutyl]methanamine; [1-(3,4-dimethoxyphenyl)cyclobutyl]methanamine |
IUPAC Name: | [1-(3,4-dimethoxyphenyl)cyclobutyl]methanamine |
Description: | 1-(3,4-Dimethoxyphenyl)cyclobutanemethanamine (CAS# 927993-44-0 ) is a useful research chemical. |
Molecular Weight: | 221.30 |
Molecular Formula: | C13H19NO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2(CCC2)CN)OC |
InChI: | InChI=1S/C13H19NO2/c1-15-11-5-4-10(8-12(11)16-2)13(9-14)6-3-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3 |
InChI Key: | HWNXNLJYEUUWKK-UHFFFAOYSA-N |
LogP: | 2.78450 |
Publication Number | Title | Priority Date |
US-5296482-A | (Benzocycloalkyl) alkylamines | 19910927 |
JP-H05208972-A | Sulfur-containing propanamine compound | 19910718 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.141578849 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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