UCSF

ZINC04707825

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 13 Yes

Popular Name: 1-(4-methylphenyl)piperazine 1-(4-methylphenyl)piperazine

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CAS Numbers: 13078-14-3 , 159263-04-4 , 39593-08-3 , [159263-04-4] , [39593-08-3]

Download: MOL2 SDF SMILES Flexibase

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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) 1.79 4.04 -41.02 2 2 1 20 177.271 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 116-118°/1mm Oakwood Chemical
BP 116-118°C/1mm Fluorochem
Melting_Point 214-216? Alfa-Aesar
Melting_Point 214-216° Alfa-Aesar
Mp [°C] 29 - 34 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H312: Harmful in contact with skin Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray 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
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
R phrase 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
Hazard XI: Irritant Acros Organics

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