UCSF

ZINC02539395

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) 2.38 6.02 -8 0 2 0 26 184.622 4

Vendor Notes

Note Type Comments Provided By
BP [°C] 105 - 107 (p=5 torr) Acros Organics
Boiling_Point 84-87?/0.4mm Alfa-Aesar
Boiling_Point 84-87°/0.4mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Moisture Sensitive Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; EUH014: Reacts violently with water; EUH029: Contact with water liberates toxic gas Acros Organics
Warnings MOISTURE SENSITIVE, CORROSIVE Matrix Scientific
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; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cauti Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R34: Causes burns.; R37: Irritating to respiratory system. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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 accident or if you feel unwell, seek medical advice immediat Acros Organics

Activity (Go SEA)

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