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102722-02-1 | Benzenemethanol, α-[[(1,1-dimethylethyl)amino]methyl]-2-hydroxy-
CAS No: 102722-02-1 Catalog No: AG00087E MDL No:
Product Description
Catalog Number:
AG00087E
Chemical Name:
Benzenemethanol, α-[[(1,1-dimethylethyl)amino]methyl]-2-hydroxy-
CAS Number:
102722-02-1
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
2-[2-(tert-butylamino)-1-hydroxyethyl]phenol
InChI:
InChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-6-4-5-7-10(9)14/h4-7,11,13-15H,8H2,1-3H3
InChI Key:
FCEWRLVEPKVKBU-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1O)CNC(C)(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Sympathomimetic drug allergy: cross-reactivity study by patch test. | American journal of clinical dermatology 20040101 |
| Mechanism of anti-inflammatory action of fepradinol. | Arzneimittel-Forschung 19940101 |
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