alpha-[(benzyl-tert-butylamino)methyl]-m-xylene-4,alpha,alpha'-triol Structure

alpha-[(benzyl-tert-butylamino)methyl]-m-xylene-4,alpha,alpha'-triol

Chemical Properties

Boiling point 496.0±33.0 °C(Predicted)
Density  1.162±0.06 g/cm3(Predicted)
pka 9.95±0.31(Predicted)
form  solid
Major Application pharmaceutical small molecule
InChI 1S/C20H27NO3/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22/h4-11,19,22-24H,12-14H2,1-3H3
InChIKey NZBXAYHLQSMNQS-UHFFFAOYSA-N
SMILES N(C(C)(C)C)(CC(O)c2cc(c(cc2)O)CO)Cc1ccccc1
LogP 2.79
FDA UNII 5H8WJ8C1XR
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P330-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3

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