UCSF

ZINC00900692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 9 Yes

Popular Name: 2,6-Dimethylaniline 2,6-Dimethylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21436-98-6 , 87-62-7

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) 2.22 3.91 -2.84 2 1 0 26 121.183 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 10 - 12 Acros Organics
MP 10-12° Oakwood Chemical
MP 11.2° Fluorochem
Melting_Point 11? Alfa-Aesar
Melting_Point 11° Alfa-Aesar
BP [°C] 216 Acros Organics
Boiling_Point 216? Alfa-Aesar
Boiling_Point 216° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% APIChem
Purity 99% Fluorochem
Purity 99.9% Fluorochem
Patent Database Links EP1422218; EP1433782; WO2006060381 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H312: Harmful in contact with skin; H332: Harmful if inhaled; H335: May cause respiratory irritation; H351: Suspected of causing cancer; H411: Toxic to aquatic life with long lasting effects; H302: Harmful if swallowed 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P301+ P312: IF SWA Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R37/38: Irritating to respiratory system and skin.; R40: Limited evidence of a carcinogenic effect.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the a Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S25: Avoid contact with eyes.; S36/37: Wear suitable protective clothing and gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

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