UCSF

ZINC00331888

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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) 0.57 1.34 -5.08 2 2 0 39 108.144 0
Mid Mid (pH 6-8) 0.57 1.61 -27.19 3 2 1 40 109.152 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 114-119? Alfa-Aesar
Melting_Point 114-119° Alfa-Aesar
MP 115-118° Matrix Scientific
MP 116 TCI
Mp [°C] 116.3 - 117.8 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0376724A2; EP0544958A1 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P302 + P352: IF ON SKIN: Wash wi Acros Organics
Warnings TOXIC Matrix Scientific

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