UCSF

ZINC01696262

Annotations

Vendors

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) 2.12 -0.07 -3.28 0 2 0 26 166.97 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 36-39? Alfa-Aesar
MP 36-39° Matrix Scientific
MP 37 - 41 Enamine Building Blocks
MP 37-39° Oakwood Chemical
MP 37-41° Matrix Scientific
MP 37...41 Enamine Building Blocks
Mp [°C] 38 - 40 Acros Organics
MP 39 TCI
BP [°C] 67 - 68 (p=6 torr) Acros Organics
BP 74-78°/16 Torr Matrix Scientific
BP 80 / 16 TCI
Boiling_Point 80?/16mm Alfa-Aesar
Boiling_Point 80°/16mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Avoid Skin Contact/Lachrymator Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed Acros Organics
Warnings LACHRYMATOR, CORROSIVE, AVOID SKIN CONTACT 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 R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.