UCSF

ZINC01529497

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 16 Yes

Popular Name: Dodecanedioic acid Dodecanedioic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 629-25-4 , 693-23-2 , [59864-79-8] , [693-23-2] , [72447-43-9]

Download: MOL2 SDF SMILES Flexibase

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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) 3.39 9.79 -93.83 0 4 -2 80 228.288 11 ↓
Lo Low (pH 4.5-6) 3.39 7.81 -48.2 1 4 -1 77 229.296 11 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 125 - 130 Acros Organics
M.P 127-129 °C(lit.) Indofine
Melting_Point 127-131? Alfa-Aesar
Melting_Point 127-131° Alfa-Aesar
MP 129 TCI
Boiling_Point 244-245?/10mm Alfa-Aesar
Boiling_Point 244-245°/10mm Alfa-Aesar
BP [°C] 245 (p=10 torr) Acros Organics
Purity 95% Fluorochem
Purity 97% APIChem
Patent Database Links EP0962459; EP1564200; EP1816116; EP1857097; EP1862442 ChEBI
SOLUBILITY ethanol: 0.1 g/mL, clear Indofine
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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 S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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