UCSF

ZINC00002054

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Hydroxybenzyl alcohol 2-Hydroxybenzyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1990/1/7 , 533-31-3 , 90-01-7 , 90-10-7 , [90-01-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.22 -0.81 -5.48 2 2 0 40 124.139 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 83 - 85 Enamine Building Blocks
Mp [°C] 83 - 87 Acros Organics
MP 83-85 °C(lit.) Indofine
Melting_Point 83-87? Alfa-Aesar
Melting_Point 83-87° Alfa-Aesar
MP 83...85 Enamine Building Blocks
MP 84 - 85 Enamine Building Blocks
MP 85 - 85 Enamine Building Blocks
MP 85 - 87 Enamine Building Blocks
MP 86 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Therapy anesthetic (local) SMDC Pharmakon
therap anesthetic (local), antiinflammatory MicroSource Spectrum
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed Acros Organics
UniProt Database Links I7GT1_SOYBN; NTE1_YEAST; PLPL6_HUMAN; PLPL6_MOUSE; PLPL6_PONAB ChEBI
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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; 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
Patent Database Links WO2006122788 ChEBI
Hazard XN: Harmful Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.