UCSF

ZINC00153293

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 3-Methoxyphenylacetonitrile 3-Methoxyphenylacetonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19924-43-7 , [19924-43-7]

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) 1.93 4.96 -8.95 0 2 0 33 147.177 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 164 - 165 (p=20 torr) Acros Organics
BP 164-165°/20mm Matrix Scientific
Boiling_Point 278-282? Alfa-Aesar
Boiling_Point 278-282° Alfa-Aesar
M.P 8C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
H phrase H301: Toxic if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
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; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for b Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard T: Toxic 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.