UCSF

ZINC04243138

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: ethyl 3-amino-3-phenylpropanoate ethyl 3-amino-3-phenylpropanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 167834-24-4 , 3082-68-6 , 3082-69-7 , 340188-50-3 , 4553-07-5 , 6335-76-8 , [3082-69-7]

Download: MOL2 SDF SMILES Flexibase

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) -0.37 5.03 -39.58 3 3 1 54 194.254 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 117 Acros Organics
MP 121 - 123 Enamine Building Blocks
MP 121...123 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase 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
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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