UCSF

ZINC00164887

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 2'-Hydroxy-1'-acetonaphthone 2'-Hydroxy-1'-acetonaphthone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 574-19-6 , [574-19-6]

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) 2.94 -0.1 -7.97 1 2 0 37 186.21 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 130-132?/2mm Alfa-Aesar
Boiling_Point 130-132°/2mm Alfa-Aesar
BP 178 / 13 TCI
Mp [°C] 61 - 63 Acros Organics
MP 63-64o C Indofine
Melting_Point 63-67? Alfa-Aesar
Melting_Point 63-67° Alfa-Aesar
MP 65 TCI
MP 65-67 °C(lit.) Indofine
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 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
SOLUBILITY Solube in Methanol or acetone Indofine
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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