UCSF

ZINC00152270

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: 3-Pyridylacetic acid hydrochloride 3-Pyridylacetic acid hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13445-43-7 , 501-81-5 , 6419-36-9 , 74494-52-3

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) 0.13 4.05 -44.48 0 3 -1 53 136.13 2 ↓
Lo Low (pH 4.5-6) 0.13 4.52 -46.47 1 3 0 54 137.138 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 144 - 146 Enamine Building Blocks
MP 144-146° Matrix Scientific
MP 144...146 Enamine Building Blocks
Melting_Point 158-162? Alfa-Aesar
Melting_Point 158-162° Alfa-Aesar
MP 160 TCI
Mp [°C] 160 - 161 Acros Organics
MP 161 - 163 Enamine Building Blocks
MP 161-163° Matrix Scientific
MP 161...163 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 98% Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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 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
melting_point Solid KeyOrganics
Hazard XI: Irritant Acros Organics

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