UCSF

ZINC05849806

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 11 Yes

Popular Name: N,N-Diethylaniline N,N-Diethylaniline

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CAS Numbers: 13289-97-9 , 5882-45-1 , 91-66-7

Download: MOL2 SDF SMILES Flexibase

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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) 2.79 6.9 -16.73 1 1 0 4 150.245 3 ↓
Mid Mid (pH 6-8) 2.79 6.79 -2.42 0 1 0 3 149.237 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 30 Acros Organics
MP 30° Oakwood Chemical
Melting_Point 38? Alfa-Aesar
Melting_Point 38° Alfa-Aesar
Boiling_Point 215-216? Alfa-Aesar
Boiling_Point 215-216° Alfa-Aesar
BP 216 TCI
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; T: Toxic; N: Dangerous for the environment Acros Organics
H phrase H330: Fatal if inhaled Acros Organics
H phrase H330: Fatal if inhaled; H411: Toxic to aquatic life with long lasting effects; H311: Toxic in contact with skin; H301: Toxic if swallowed; H373: May cause damage to organs through prolonged or repeated exposure; H260: In contact with water releases flamma Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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: G Acros Organics
R phrase R14/15: Reacts violently with water, liberating extremely flammable gases. Acros Organics
R phrase R14/15: Reacts violently with water, liberating extremely flammable gases.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately Acros Organics

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