| CAS Number | 1094641-71-0 |
| Catalog Number | AG00IW7L(AGN-PC-0WAXXR) |
| Chemical Name | [(3-Methoxy-4-methylphenyl)methyl](propyl)amine |
| IUPAC Name | N-[(3-methoxy-4-methylphenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-4-7-13-9-11-6-5-10(2)12(8-11)14-3/h5-6,8,13H,4,7,9H2,1-3H3 |
| InChI Key | REDDBVSTNYAFNA-UHFFFAOYSA-N |
| MDL Number | MFCD11212463 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | O(C1(=C(C=CC(=C1)CNCCC)C))C |
| Synonyms | [(3-methoxy-4-methylphenyl)methyl](propyl)amine,
1094641-71-0,
MFCD11212463,
ZINC36947860,
AKOS009345898,
AG-0073,
KS-0000223W,
|
| Complexity | 149 |
| 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 | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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