UCSF

ZINC00142824

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: Acetanilide Acetanilide

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 103-84-4 , 141801-46-9 , 15826-91-2 , [103-84-4]

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) 1.16 3.39 -8.79 1 2 0 29 135.166 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 111 - 115 Acros Organics
MP 113 - 115 Enamine Building Blocks
MP 113-115° Oakwood Chemical
Melting_Point 113-116? Alfa-Aesar
Melting_Point 113-116° Alfa-Aesar
MP 113...115 Enamine Building Blocks
mp 154 MolMall (formerly Molecular Diversity Preservation International)
BP [°C] 304 Acros Organics
Boiling_Point 304-305? Alfa-Aesar
Boiling_Point 304-305° Alfa-Aesar
BP 304° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% Fluorochem
UniProt Database Links AAM_RHOER; EST4_RAT ChEBI
Therapy analgesic, antipyretic SMDC Pharmakon
Patent Database Links EP1334968; EP1559427; US2004018942; US2005221990; US2006079526; US2007202208; WO2005007094; WO2005075471; WO2005120148; WO2006010595; WO2006019975; WO2006024034; WO2006091575 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H319: Causes serious eye irritation Acros Organics
Target Others Selleck Chemicals
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S39: Wear eye/face protection. Acros Organics
PUBCHEM_PATENT_ID US5506147 IBM Patent Data
Hazard XN: Harmful Acros Organics

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