| CAS Number | 1181632-36-9 |
| Catalog Number | AG019TEG |
| Chemical Name | 1-(2-Methoxyphenyl)-3-methylbutan-1-amine |
| IUPAC Name | 1-(2-methoxyphenyl)-3-methylbutan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-9(2)8-11(13)10-6-4-5-7-12(10)14-3/h4-7,9,11H,8,13H2,1-3H3 |
| InChI Key | YQKCPHZYWZWJJD-UHFFFAOYSA-N |
| MDL Number | MFCD11935358 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | COC1=C(C(CC(C)C)N)C=CC=C1 |
| Synonyms | 1-(2-methoxyphenyl)-3-methylbutan-1-amine,
1181632-36-9,
CHEMBL3455555,
AKOS010015827,
MCULE-1385958476,
NE21841,
Z1313429100,
(1R)-1-(2-METHOXYPHENYL)-3-METHYLBUTAN-1-AMINE,
(1S)-1-(2-METHOXYPHENYL)-3-METHYLBUTAN-1-AMINE,
1549710-13-5,
1549710-61-3,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number