| CAS Number | 892871-67-9 |
| Catalog Number | AG00IFMI(AGN-PC-0WG49O) |
| Chemical Name | 2-[Benzyl(2-methylprop-2-EN-1-YL)amino]ethan-1-OL |
| IUPAC Name | 2-[benzyl(2-methylprop-2-enyl)amino]ethanol |
| InChI | InChI=1S/C13H19NO/c1-12(2)10-14(8-9-15)11-13-6-4-3-5-7-13/h3-7,15H,1,8-11H2,2H3 |
| InChI Key | DAWCHHRBJSAGCY-UHFFFAOYSA-N |
| MDL Number | MFCD16661705 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | CC(=C)CN(CCO)Cc1ccccc1 |
| Synonyms | 892871-67-9,
2-[BENZYL(2-METHYLPROP-2-EN-1-YL)AMINO]ETHAN-1-OL,
2-(Benzyl(2-methylallyl)amino)ethanol,
SCHEMBL2073073,
DAWCHHRBJSAGCY-UHFFFAOYSA-N,
MFCD16661705,
ZINC49752619,
AKOS009061505,
2-(Benzyl(2-methylallyl)amino)ethan-1-ol,
2-[Benzyl-(2-methyl-allyl)-amino]-ethanol,
CS-0037207,
2-(N-benzyl-N-(2-methylallyl)amino)ethanol,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number