UCSF

ZINC84317011

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2013 0 Yes

Popular Name: 2,5-dimethylpiperazine 2,5-dimethylpiperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1003-69-6 , 106-55-8 , 1119702-25-8 , 123-32-0 , 2815-34-1 , 6284-84-0 , [106-55-8]

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
Lo Low (pH 4.5-6) 0.40 1.43 -106.91 4 2 2 33 116.208 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 113 - 118 Acros Organics
MP 115-118° Oakwood Chemical
Melting_Point 115-119? Alfa-Aesar
Melting_Point 115-119° Alfa-Aesar
BP [°C] 162 - 165 Acros Organics
Boiling_Point 162-165? Alfa-Aesar
BP 162-165° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; 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; H312: Harmful in contact with skin; H228: Flammable solid Acros Organics
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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R21: Harmful in contact with skin.; R34: Causes burns. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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.; S45: In case of accid Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.