UCSF

ZINC04283944

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 7 Yes

Popular Name: 2-PROPOXYETHANOL 2-PROPOXYETHANOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2807-30-9 , [2807-30-9]

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) 0.45 -0.18 -4.58 1 2 0 29 104.149 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 70 Acros Organics
MP 75 - -73 Enamine Building Blocks
MP 75 - -75 Enamine Building Blocks
MP 76 - -75 Enamine Building Blocks
MP 77 - -75 Enamine Building Blocks
MP 77...-75 Enamine Building Blocks
BP [°C] 149 Acros Organics
BP 151 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H311: Toxic in contact with skin; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P210: Keep away from heat/sparks/open f Acros Organics
R phrase R21: Harmful in contact with skin. Acros Organics
R phrase R21: Harmful in contact with skin.; R36: Irritating to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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