| CAS Number | 910443-18-4 |
| Catalog Number | AG00IGFK(AGN-PC-0WBOIS) |
| Chemical Name | 2-Amino-2-(4-isopropylphenyl)ethanol |
| IUPAC Name | 2-amino-2-(4-propan-2-ylphenyl)ethanol |
| InChI | InChI=1S/C11H17NO/c1-8(2)9-3-5-10(6-4-9)11(12)7-13/h3-6,8,11,13H,7,12H2,1-2H3 |
| InChI Key | XUXBDVIKYGKHEV-UHFFFAOYSA-N |
| MDL Number | MFCD08752773 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(C1=CC=C(C(N)CO)C=C1)C |
| Synonyms | 2-AMINO-2-(4-ISOPROPYLPHENYL)ETHANOL,
910443-18-4,
2-amino-2-[4-(propan-2-yl)phenyl]ethanol,
SCHEMBL3638602,
(2S)-2-AMINO-2-[4-(METHYLETHYL)PHENYL]ETHAN-1-OL,
4969AH,
BBL021611,
KM2963,
MFCD08752773,
STK894324,
AKOS005143820,
MCULE-1281501817,
1213342-96-1,
C11H17NO,
(2R)-2-AMINO-2-[4-(METHYLETHYL)PHENYL]ETHAN-1-OL,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number