UCSF

ZINC00409192

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) 2.30 -0.22 -4.57 0 1 0 13 172.025 0
Lo Low (pH 4.5-6) 2.30 -0.11 -27.85 1 1 1 14 173.033 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 40 - 45 Acros Organics
Melting_Point 40-45? Alfa-Aesar
Melting_Point 40-45° Alfa-Aesar
MP 41-43° Matrix Scientific
MP 44 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP [°C] 95 - 96 (p=12.5 torr) Acros Organics
Boiling_Point 95-96?/12mm Alfa-Aesar
BP 95-96°/12mm Matrix Scientific
Purity 97% APIChem
Purity 98% Matrix Scientific
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H332: Harmful if inhaled; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation Acros Organics
Warnings IRRITANT 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. 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. Acros Organics
melting_point Solid KeyOrganics
Hazard XN: Harmful Acros Organics

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