UCSF

ZINC00158585

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) 0.11 0.18 -5.47 1 2 0 33 109.128 1
Lo Low (pH 4.5-6) 0.11 0.59 -30.28 2 2 1 34 110.136 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 6 to -5? Alfa-Aesar
MP 6 to -5° Matrix Scientific
BP 112 / 15 TCI
Boiling_Point 112-113?/16mm Alfa-Aesar
BP 112-113°/16mm Matrix Scientific
BP [°C] 220 Acros Organics
Mp [°C] 5 Acros Organics
Purity 98% Matrix Scientific
Therapy decongestant SMDC Pharmakon
PUBCHEM_PATENT_ID EP0346465A1; EP0346465B1; US5084453; US5225406 IBM Patent Data
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT, HYGROSCOPIC, KEEP COLD Matrix Scientific
Warnings Irritant/Hygroscopic/Refrigerate Matrix Scientific
melting_point Oil KeyOrganics
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
Hazard XN: Harmful Acros Organics

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