UCSF

ZINC19229955

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 16 Yes

Popular Name: 1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine 1-[5-(Trifluoromethyl)pyridin-2-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120298-11-5 , 128263-65-0 , 132834-58-3 , [120298-11-5]

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) 1.34 3.75 -45.82 2 3 1 33 232.229 2 ↓
Hi High (pH 8-9.5) 1.34 2.33 -4.75 1 3 0 28 231.221 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 122 (p=2 torr) Acros Organics
BP 122°/2mm Matrix Scientific
melting_point 43 - 46 KeyOrganics
MP 43-46° Matrix Scientific
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
Warnings Irritant Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics

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