UCSF

ZINC38145779

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.17 2.29 -38.4 3 1 1 28 102.201 2

Vendor Notes

Note Type Comments Provided By
BP 108 TCI
BP [°C] 108 - 110 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
ALOGPS_SOLUBILITY 9.83e+00 g/l DrugBank-experimental
purity 95 Enamine Building Blocks
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H225: Highly flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid Acros Organics
PUBCHEM_PATENT_ID WO1999067221A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )