| CAS Number | 1170821-68-7 |
| Catalog Number | AG01DLH7 |
| Chemical Name | 3-(4-methylphenoxy)benzylamine hcl |
| IUPAC Name | [3-(4-methylphenoxy)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C14H15NO.ClH/c1-11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)10-15;/h2-9H,10,15H2,1H3;1H |
| InChI Key | XZXUBPXLCOLHKV-UHFFFAOYSA-N |
| MDL Number | MFCD03840100 |
| Molecular Formula | C14H16ClNO |
| Molecular Weight | 249.7359 |
| SMILES | Cl.CC1=CC=C(OC2=CC=CC(CN)=C2)C=C1 |
| Synonyms | 3-(4-Methylphenoxy)benzylamine hydrochloride,
154108-16-4,
3-(4-METHYLPHENOXY)BENZYLAMINE HCL,
(3-(p-Tolyloxy)phenyl)methanamine hydrochloride,
1170821-68-7,
CTK7E5761,
DTXSID80590030,
3PBA-Q06-1,
ZX-AT029466,
5213AH,
AR1565,
MFCD03840100,
3-(4-Methylphenoxy)benzylamine, HCl,
AS-45158,
SC-59116,
X-1095,
[3-(4-methylphenoxy)phenyl]methanamine hydrochloride,
1-[3-(4-Methylphenoxy)phenyl]methanamine--hydrogen chloride (1/1),
C14H15NO.HCl,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.738g/mol |
| Monoisotopic Mass | 249.092g/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
Certificate of Analysis
Lot Number