| CAS Number | 1071628-77-7 |
| Catalog Number | AG00HAXQ(AGN-PC-0WR32I) |
| Chemical Name | 2-(1-(Benzylamino)ethyl)phenol hydrochloride |
| IUPAC Name | 2-[1-(benzylamino)ethyl]phenol;hydrochloride |
| InChI | InChI=1S/C15H17NO.ClH/c1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13;/h2-10,12,16-17H,11H2,1H3;1H |
| InChI Key | ZTQORMGVVUIWJB-UHFFFAOYSA-N |
| MDL Number | MFCD26959779 |
| Molecular Formula | C15H18ClNO |
| Molecular Weight | 263.7625 |
| SMILES | CC(c1ccccc1O)NCc1ccccc1.Cl |
| Synonyms | 2-(1-(Benzylamino)ethyl)phenol hcl,
1071628-77-7,
2-(1-(Benzylamino)ethyl)phenol hydrochloride,
MFCD26959779,
CS-0061055,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.765g/mol |
| Monoisotopic Mass | 263.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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