| CAS Number | 869942-72-3 |
| Catalog Number | AG004HD8(AGN-PC-0WB3R1) |
| Chemical Name | N-(2-Methoxybenzyl)-2-methylpropan-1-amine |
| IUPAC Name | N-[(2-methoxyphenyl)methyl]-2-methylpropan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-10(2)8-13-9-11-6-4-5-7-12(11)14-3/h4-7,10,13H,8-9H2,1-3H3 |
| InChI Key | ISFFDNRXIWXMSM-UHFFFAOYSA-N |
| MDL Number | MFCD04488824 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | COC1=C(CNCC(C)C)C=CC=C1 |
| Synonyms | 869942-72-3,
N-(2-METHOXYBENZYL)-2-METHYLPROPAN-1-AMINE,
AC1LIT57,
CTK5F7531,
KS-00001LRH,
DTXSID50359378,
CHEMBRDG-BB 4022337,
ZINC5817300,
MFCD04488824,
AKOS000230216,
MCULE-5302195817,
AJ-54916,
N-(2-Methoxybenzyl)-2-methyl-1-propanamine,
[(2-methoxyphenyl)methyl](2-methylpropyl)amine,
Y-1338,
N-[(2-methoxyphenyl)methyl]-2-methylpropan-1-amine,
CHEMBRDG-BB4022337,
CID961340,
N-[(2-methoxyphenyl)methyl]-2-methyl-propan-1-amine,
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| Complexity | 147 |
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number