| CAS Number | 837-11-6 |
| Catalog Number | AG004T6F(AGN-PC-0NGOP1) |
| Chemical Name | Phenol, 4-[1-(4-aminophenyl)-1-methylethyl]- |
| IUPAC Name | 4-[2-(4-aminophenyl)propan-2-yl]phenol |
| InChI | InChI=1S/C15H17NO/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,17H,16H2,1-2H3 |
| InChI Key | NFGPNZVXBBBZNF-UHFFFAOYSA-N |
| MDL Number | MFCD22053824 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.3016 |
| SMILES | OC1=CC=C(C(C)(C2=CC=C(N)C=C2)C)C=C1 |
| Synonyms | 837-11-6,
Phenol, 4-[1-(4-aminophenyl)-1-methylethyl]-,
4-[1-(4-AMINOPHENYL)-1-METHYLETHYL]-PHENOL,
SCHEMBL134579,
CTK3D1425,
DTXSID60456948,
NFGPNZVXBBBZNF-UHFFFAOYSA-N,
AKOS022656311,
4-(1-(4-aminophenyl)-1-methylethyl)phenol,
4-(4-Amino-alpha,alpha-dimethylbenzyl)phenol,
2-(4-aminophenyl)-2-(4-hydroxyphenyl)propane,
2-(4-hydroxyphenyl)-2-(4-aminophenyl)propane,
2-(4-aminophenyl)-2-(4'-hydroxyphenyl)propane,
2-(4'-aminophenyl)-2-(4'-hydroxyphenyl) propane,
2-(4'-hydroxyphenyl)-2-(4'-aminophenyl)-propane,
4-[2-(4-aminophenyl)propan-2-yl]phenol,
CID11148864,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.307g/mol |
| Monoisotopic Mass | 227.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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