UCSF

ZINC12358724

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 Yes

Popular Name: Ethyl 3-aminocrotonate Ethyl 3-aminocrotonate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 626-34-6 , 7318-00-5 , N/A

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) 0.96 2.6 -6.24 2 3 0 52 129.159 3 ↓
Ref Reference (pH 7) 0.96 2.27 -6.86 2 3 0 52 129.159 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 33-35° Fluorochem
BP [°C] 210 - 215 Acros Organics
Boiling_Point 210-215? Alfa-Aesar
Boiling_Point 210-215° Alfa-Aesar
Melting_Point 29-35? Alfa-Aesar
Melting_Point 29-35° Alfa-Aesar
Mp [°C] 33 - 35 Acros Organics
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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