| CAS Number | 850085-99-3 |
| Catalog Number | AG00GAP5(AGN-PC-0D5FPU) |
| Chemical Name | 5-Amino-2-isopropylphenol |
| IUPAC Name | 5-amino-2-propan-2-ylphenol |
| InChI | InChI=1S/C9H13NO/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,11H,10H2,1-2H3 |
| InChI Key | BPCCNIHWUWYKLZ-UHFFFAOYSA-N |
| MDL Number | MFCD16997161 |
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.2056 |
| SMILES | NC=1C=CC(=C(C1)O)C(C)C |
| Synonyms | 5-AMINO-2-ISOPROPYLPHENOL,
850085-99-3,
SCHEMBL2974508,
BPCCNIHWUWYKLZ-UHFFFAOYSA-N,
5-Amino-2-(1-methylethyl)phenol,
MFCD16997161,
ZINC88189811,
CS-W000568,
MB22522,
5-AMINO-2-(PROPAN-2-YL)PHENOL,
AS-48563,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.209g/mol |
| Monoisotopic Mass | 151.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number