| CAS Number | 927993-47-3 |
| Catalog Number | AG00VWQG(AGN-PC-0WBL2D) |
| Chemical Name | [1-(2-Methoxyphenyl)cyclobutyl]methanamine |
| IUPAC Name | [1-(2-methoxyphenyl)cyclobutyl]methanamine |
| InChI | InChI=1S/C12H17NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-9,13H2,1H3 |
| InChI Key | QYBDUMVPPQVMRK-UHFFFAOYSA-N |
| MDL Number | MFCD09261725 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | COC1=C(C=CC=C1)C1(CCC1)CN |
| Synonyms | 927993-47-3,
[1-(2-methoxyphenyl)cyclobutyl]methanamine,
1-(2-Methoxyphenyl)cyclobutanemethanamine,
SCHEMBL2332969,
ZINC11848928,
AKOS002671546,
MCULE-1543020493,
NE37003,
NS-01807,
SY152250,
Cyclobutanemethanamine, 1-(2-methoxyphenyl)-,
MFCD09261725 (95%),
1-[1-(2-METHOXYPHENYL)CYCLOBUTYL]METHANAMINE,
[1-(2-Methoxyphenyl)cyclobutyl]methylamine,
I14-17151,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.27g/mol |
| Monoisotopic Mass | 191.131014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number