UCSF

ZINC00158905

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 16 Yes

Popular Name: 4-(4-methylpiperazino)benzoic acid 4-(4-methylpiperazino)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 27913-99-1 , 289044-60-6 , 86620-62-4 , [289044-60-6] , [86620-62-4]

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) 1.84 5.21 -79.48 1 4 0 48 220.272 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 245 (Dec) KeyOrganics
MP 245°(dec) Matrix Scientific
Mp [°C] 270 Acros Organics
MP 270-272° Oakwood Chemical
Purity >95% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
Warnings IRRITANT Matrix Scientific
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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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