| CAS Number | 1096278-17-9 |
| Catalog Number | AG01B8V8 |
| Chemical Name | (Cyclobutylmethyl)[(2,4-dimethoxyphenyl)methyl]amine |
| IUPAC Name | 1-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]methanamine |
| InChI | InChI=1S/C14H21NO2/c1-16-13-7-6-12(14(8-13)17-2)10-15-9-11-4-3-5-11/h6-8,11,15H,3-5,9-10H2,1-2H3 |
| InChI Key | AWEOTOFAOVCVJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11634814 |
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.3220 |
| SMILES | COC1=CC(OC)=C(CNCC2CCC2)C=C1 |
| Synonyms | (cyclobutylmethyl)[(2,4-dimethoxyphenyl)methyl]amine,
1096278-17-9,
ZINC37180353,
AKOS005868737,
benzenemethanamine, n-(cyclobutylmethyl)-2,4-dimethoxy-,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.327g/mol |
| Monoisotopic Mass | 235.157g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number