UCSF

ZINC00001291

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: N,N-Diethyl-3-methylbenzamide N,N-Diethyl-3-methylbenzamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 134-62-3 , 94271-03-1 , [134-62-3]

Download: MOL2 SDF SMILES Flexibase

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) 2.08 6.93 -8.5 0 2 0 20 191.274 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 110-112?/1mm Alfa-Aesar
Boiling_Point 110-112°/1mm Alfa-Aesar
BP [°C] 111 (p=1 torr) Acros Organics
BP 160 / 19 TCI
Purity 95% Fluorochem
Purity 97% APIChem
UniProt Database Links ACPH_BOVIN; ACPH_HUMAN; ACPH_PIG; ACPH_RABIT; ACPH_RAT; AGA1_YEAST; AKAP5_HUMAN; ALS10_CANAL; ALS1_CANAL; ALS3_CANAX; ALS5_CANAL; ALS5_CANAX; ALS6_CANAL; ALS7_CANAL; AMPD_DICDI; AN32E_CHICK; AN32E_DANRE; AN32E_HUMAN; AN32E_MOUSE; AN32E_RAT; AN32E_XENLA; A ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H412: Harmful to aquatic life with long lasting effects; H302: Harmful if swallowed Acros Organics
Therapy insect repellant SMDC Pharmakon
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several mi Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Hazard XN: Harmful Acros Organics

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