UCSF

ZINC02528007

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 No

Popular Name: 1-Butylpyridinium chloride 1-Butylpyridinium chloride

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CAS Numbers: 1124-64-7 , 186088-50-6 , 203389-28-0 , 874-80-6 , [186088-50-6] , [203389-28-0] , [390423-43-5] , [874-80-6]

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) -3.04 2.38 -27.3 0 1 1 3 136.218 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 104 TCI
Melting_Point 105-108? Alfa-Aesar
Melting_Point 105-108° Alfa-Aesar
Melting_Point 131-132? Alfa-Aesar
Melting_Point 131-132° Alfa-Aesar
MP 75 TCI
Purity 95% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation Acros Organics
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
PUBCHEM_PATENT_ID US4753908 IBM Patent Data
Hazard XI: Irritant Acros Organics

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