| CAS Number | 256493-34-2 |
| Catalog Number | AG00I4WF(AGN-PC-0WQXRJ) |
| Chemical Name | 4-Benzyloxy-n1-methyl-benzene-1,2-diamine |
| IUPAC Name | 1-N-methyl-4-phenylmethoxybenzene-1,2-diamine |
| InChI | InChI=1S/C14H16N2O/c1-16-14-8-7-12(9-13(14)15)17-10-11-5-3-2-4-6-11/h2-9,16H,10,15H2,1H3 |
| InChI Key | KBBUDQOANFRAOF-UHFFFAOYSA-N |
| MDL Number | MFCD00006591 |
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.2896 |
| SMILES | CNc1ccc(cc1N)OCc1ccccc1 |
| Synonyms | 4-(Benzyloxy)-N1-methylbenzene-1,2-diamine,
256493-34-2,
SCHEMBL6632507,
ZINC169053286,
4-Benzyloxy-n1-methyl-benzene-1,2-diamine,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.295g/mol |
| Monoisotopic Mass | 228.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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