UCSF

ZINC00152601

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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) 1.32 3.21 -2.9 2 3 0 38 178.235 1

Vendor Notes

Note Type Comments Provided By
BP 116-120°/0.6 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
MP 93 - 95 Enamine Building Blocks
MP 93...95 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point 95-98? Alfa-Aesar
Melting_Point 95-98° Alfa-Aesar
MP 96° Matrix Scientific
Mp [°C] 98 - 99 Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
PUBCHEM_PATENT_ID USRE30199 IBM Patent Data
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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