| CAS Number | 910443-17-3 |
| Catalog Number | AG00GRWT(AGN-PC-0WBOIT) |
| Chemical Name | 2-Amino-2-(3,4-dimethylphenyl)ethanol |
| IUPAC Name | 2-amino-2-(3,4-dimethylphenyl)ethanol |
| InChI | InChI=1S/C10H15NO/c1-7-3-4-9(5-8(7)2)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3 |
| InChI Key | HSQAORATDQNBDY-UHFFFAOYSA-N |
| MDL Number | MFCD08752772 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | CC1=C(C)C=C(C(CO)N)C=C1 |
| Synonyms | 2-amino-2-(3,4-dimethylphenyl)ethanol,
910443-17-3,
SCHEMBL3636225,
4968AH,
BBL021610,
KM2962,
MFCD08752772,
STK894323,
AKOS005143735,
MCULE-6578159137,
C10H15NO,
2-AMINO-2-(3,4-DIMETHYLPHENYL)ETHAN-1-OL,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.236g/mol |
| Monoisotopic Mass | 165.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number