| CAS Number | 114377-41-2 |
| Catalog Number | AG01A7I5(AGN-PC-06L80J) |
| Chemical Name | 3-(Benzyloxy)-2-methylpropan-1-amine |
| IUPAC Name | 2-methyl-3-phenylmethoxypropan-1-amine |
| InChI | InChI=1S/C11H17NO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3 |
| InChI Key | MDENEXDTXSSCRK-UHFFFAOYSA-N |
| MDL Number | MFCD11653689 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(COCC1=CC=CC=C1)CN |
| Synonyms | 3-(benzyloxy)-2-methylpropan-1-amine,
114377-41-2,
SBB084036,
2-methyl-3-(phenylmethoxy)propylamine,
AKOS005217102,
MCULE-8037714818,
NE20672,
3-benzyloxy-2-methyl-propan-1-amine,
114377-40-1,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number