| CAS Number | 857594-21-9 |
| Catalog Number | AG00IDRM(AGN-PC-0WOJK1) |
| Chemical Name | 2-(Benzyloxy)aniline hydrochloride |
| IUPAC Name | 2-phenylmethoxyaniline;hydrochloride |
| InChI | InChI=1S/C13H13NO.ClH/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;/h1-9H,10,14H2;1H |
| InChI Key | VOYDAPAXHMCVHB-UHFFFAOYSA-N |
| MDL Number | MFCD27960265 |
| Molecular Formula | C13H14ClNO |
| Molecular Weight | 235.7094 |
| SMILES | Cl.NC1=C(OCC2=CC=CC=C2)C=CC=C1 |
| Synonyms | 2-(Benzyloxy)aniline hydrochloride,
857594-21-9,
SCHEMBL584918,
VOYDAPAXHMCVHB-UHFFFAOYSA-N,
2-(benzyloxy)-aniline hydrochloride,
AKOS016397701,
MCULE-2966773909,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.711g/mol |
| Monoisotopic Mass | 235.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number