UCSF

ZINC08294948

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) 0.40 1.22 -4.94 2 2 0 39 108.144 0
Mid Mid (pH 6-8) 0.40 1.48 -26.51 3 2 1 40 109.152 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 130 (p=1 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92-94° Oakwood Chemical
Mp [°C] 93.6 - 94.9 Acros Organics
purity 95 Enamine Building Blocks
MP 95 - 99 Enamine Building Blocks
Melting_Point 95-99? Alfa-Aesar
MP 95-99° Matrix Scientific
MP 95...99 Enamine Building Blocks
Purity 97% APIChem
Purity 98% Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H315: Causes skin irritation; H318: Causes serious eye damage; H335: May cause respiratory irritation 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R41: Risk of serious damage to eyes. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
S phrase S25: Avoid contact with eyes.; 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
Warnings Toxic Matrix Scientific
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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