| CAS Number | 927993-41-7 |
| Catalog Number | AG01A6QZ(AGN-PC-0WO2RG) |
| Chemical Name | [1-(4-methoxyphenyl)cyclobutyl]methanamine |
| IUPAC Name | [1-(4-methoxyphenyl)cyclobutyl]methanamine |
| InChI | InChI=1S/C12H17NO/c1-14-11-5-3-10(4-6-11)12(9-13)7-2-8-12/h3-6H,2,7-9,13H2,1H3 |
| InChI Key | UPZJUNZCLDSSFX-UHFFFAOYSA-N |
| MDL Number | MFCD09261723 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | COC1=CC=C(C=C1)C2(CCC2)CN |
| Synonyms | 927993-41-7,
[1-(4-methoxyphenyl)cyclobutyl]methanamine,
1-(4-Methoxyphenyl)cyclobutanemethanamine,
[1-(4-Methoxyphenyl)cyclobutyl]methylamine,
MFCD09261723,
ZINC11848926,
AKOS002671540,
NE26445,
SY152249,
MFCD09261723 (95%),
I14-17150,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number