UCSF

ZINC43464573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 11 Yes

Popular Name: Ethyl 2-amino-3,3,3-trifluoropropanoate hydrochloride Ethyl 2-amino-3,3,3-trifluoropro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 193140-71-5 , 764629-04-1 , [193140-71-5]

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) 0.34 1.33 -4.35 2 3 0 52 171.118 4 ↓
Lo Low (pH 4.5-6) 0.34 1.65 -44.57 3 3 1 54 172.126 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 143-147? Alfa-Aesar
Melting_Point 143-147° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302: IF ON SKIN; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lense Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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