UCSF

ZINC01699053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 10 No

Popular Name: Ethyl 3-(N,N-dimethylamino)acrylate Ethyl 3-(N,N-dimethylamino)acrylate

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CAS Numbers: 1117-37-9 , 924-99-2 , [924-99-2]

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) 0.76 4.44 -7.06 0 3 0 30 143.186 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 118 - 121 (p=7.5 torr) Acros Organics
Boiling_Point 118-121?/10mm Alfa-Aesar
Boiling_Point 118-121°/10mm Alfa-Aesar
BP 136 / 28 TCI
Mp [°C] 17 - 18 Acros Organics
Melting_Point 17-18? Alfa-Aesar
Melting_Point 17-18° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% Fluorochem
H phrase H317: May cause an allergic skin reaction Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
R phrase R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.