UCSF

ZINC01320164

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 10 Yes

Popular Name: 5-Methyl-2-pyrazinecarboxylic acid 5-Methyl-2-pyrazinecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5521-55-1 , N/A , [5521-55-1]

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) 0.26 2.04 -48.51 0 4 -1 66 137.118 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 158 - 160 Acros Organics
MP 164-166° Oakwood Chemical
Melting_Point 165-167? Alfa-Aesar
Melting_Point 165-167° Alfa-Aesar
MP 166 TCI
MP 168 - 170 Enamine Building Blocks
MP 168-170° Fluorochem
MP 168...170 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity 99% APIChem
H phrase H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase 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 rinsing; P310: Immediately call a POISON CENTER or doctor/physician Acros Organics
R phrase R41: Risk of serious damage to eyes. 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.; S39: Wear eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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