UCSF

ZINC00157539

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4'-Aminoacetophenone 4'-Aminoacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 41784-08-1 , 744978-39-0 , 99-92-3 , [99-92-3]

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) 0.91 2.78 -7.93 2 2 0 43 135.166 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 103-107° Oakwood Chemical
Melting_Point 103-108? Alfa-Aesar
Melting_Point 103-108° Alfa-Aesar
MP 105 - 107 Enamine Building Blocks
MP 105-107° Fluorochem
MP 105...107 Enamine Building Blocks
MP 107 TCI
Boiling_Point 292-294? Alfa-Aesar
Boiling_Point 292-294° Alfa-Aesar
BP [°C] 293 Acros Organics
BP 293° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Mp [°C] 96 - 102 Acros Organics
Purity 98% Fluorochem
Purity 99% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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