UCSF

ZINC01530347

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 9 Yes

Popular Name: 6-Hydroxycaproic acid 6-Hydroxycaproic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1191-25-9 , 21810-34-4 , [1191-25-9]

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) 0.48 0.92 -47.52 1 3 -1 60 131.151 5 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 113 - 116 Acros Organics
Mp [°C] 38 - 40 Acros Organics
Purity 95% Fluorochem
Patent Database Links EP0872482; EP0872483; US2004023890; WO2006020234 ChEBI
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
Hazard XI: Irritant Acros Organics

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