UCSF

ZINC00166514

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 5-Cyano-2-picoline 5-Cyano-2-picoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3222-48-8 , N/A

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
Ref Reference (pH 7) 0.51 3.75 -5.91 0 2 0 37 118.139 0 ↓
Lo Low (pH 4.5-6) 0.51 4.01 -37.83 1 2 1 38 119.147 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 216-217? Alfa-Aesar
Boiling_Point 216-217° Alfa-Aesar
Melting_Point 83-87? Alfa-Aesar
Melting_Point 83-87° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
H phrase H301: Toxic if swallowed; H311: Toxic in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H331: Toxic if inhaled; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard T: Toxic Acros Organics

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