UCSF

ZINC00029076

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

Popular Name: 1-(4-Piperazin-1-yl-phenyl)ethanone 1-(4-Piperazin-1-yl-phenyl)ethanone

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CAS Numbers: 51639-48-6 , [51639-48-6]

Download: MOL2 SDF SMILES Flexibase

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) 1.24 3.75 -49.58 2 3 1 37 205.281 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 107 - 110 Acros Organics
MP 107-110° Oakwood Chemical
Melting_Point 93-98? Alfa-Aesar
Melting_Point 93-98° Alfa-Aesar
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
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; H312: Harmful in contact with skin Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and e Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics

Activity (Go SEA)

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