UCSF

ZINC03860568

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6269-89-2 , [6269-89-2]

Download: MOL2 SDF SMILES Flexibase

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) 1.30 4.03 -53.2 2 5 1 66 208.241 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 129-133? Alfa-Aesar
Melting_Point 129-133° Alfa-Aesar
Mp [°C] 130 - 134 Acros Organics
MP 130-132° Fluorochem
MP 131 - 133 Enamine Building Blocks
MP 131...133 Enamine Building Blocks
MP 132 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; 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 Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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